N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C26H25N3O3 — CID 52523750

IUPACN-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1
InChIInChI=1S/C26H25N3O3/c1-16-11-12-21(27-24(30)18-7-4-3-5-8-18)15-23(16)29-25(31)19-9-6-10-20(14-19)28-26(32)22-13-17(22)2/h3-12,14-15,17,22H,13H2,1-2H3,(H,27,30)(H,28,32)(H,29,31)/t17-,22+/m0/s1
InChIKeyFMBQHVCLPMJFRG-HTAPYJJXSA-N
MW427.50 g/mol
LogP5.09
Rot. Bonds6

About N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 52523750) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID52523750
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1
InChIInChI=1S/C26H25N3O3/c1-16-11-12-21(27-24(30)18-7-4-3-5-8-18)15-23(16)29-25(31)19-9-6-10-20(14-19)28-26(32)22-13-17(22)2/h3-12,14-15,17,22H,13H2,1-2H3,(H,27,30)(H,28,32)(H,29,31)/t17-,22+/m0/s1
InChIKeyFMBQHVCLPMJFRG-HTAPYJJXSA-N
XLogP5.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
CID 119240303
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 52523750) is N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1.
What is the InChIKey of N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is FMBQHVCLPMJFRG-HTAPYJJXSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-16-11-12-21(27-24(30)18-7-4-3-5-8-18)15-23(16)29-25(31)19-9-6-10-20(14-19)28-26(32)22-13-17(22)2/h3-12,14-15,17,22H,13H2,1-2H3,(H,27,30)(H,28,32)(H,29,31)/t17-,22+/m0/s1.
What are the key properties of N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 427.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 52523750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).