M0I

4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide

Created:	2022-03-10
Last modified:	2022-11-23

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1 entries where M0I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	18

2D diagram of M0I

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Chemical Component Summary
Name	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
Systematic Name (OpenEye OEToolkits)	4-[[[4-(dimethylamino)phenyl]carbonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]methyl]-3-fluoranyl-~{N}-oxidanyl-benzamide
Formula	C₂₆ H₂₇ F N₄ O₄
Molecular Weight	478.515
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1
SMILES	CACTVS	3.385	CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3
Canonical SMILES	CACTVS	3.385	CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3F)C(=O)NO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2F)C(=O)NO)CC(=O)NCc3ccccc3
InChI	InChI	1.03	InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33)
InChIKey	InChI	1.03	GBIQEYYBFBGNOZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	165430653

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