N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide

C24H23N3O2 — CID 157443710

IUPACN-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)c(N)c1
InChIInChI=1S/C24H23N3O2/c1-15-7-12-22(21(25)13-15)27-23(28)17-8-10-18(11-9-17)26-24(29)20-14-19(20)16-5-3-2-4-6-16/h2-13,19-20H,14,25H2,1H3,(H,26,29)(H,27,28)/t19-,20-/m1/s1
InChIKeyBRYYZSGIUVGQBV-WOJBJXKFSA-N
MW385.47 g/mol
LogP4.57
Rot. Bonds5

About N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide

N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide (PubChem CID 157443710) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
PubChem CID157443710
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)c(N)c1
InChIInChI=1S/C24H23N3O2/c1-15-7-12-22(21(25)13-15)27-23(28)17-8-10-18(11-9-17)26-24(29)20-14-19(20)16-5-3-2-4-6-16/h2-13,19-20H,14,25H2,1H3,(H,26,29)(H,27,28)/t19-,20-/m1/s1
InChIKeyBRYYZSGIUVGQBV-WOJBJXKFSA-N
XLogP4.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-[[(1R)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325533
N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325532
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide (CID 157443710) is N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide is Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is BRYYZSGIUVGQBV-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-7-12-22(21(25)13-15)27-23(28)17-8-10-18(11-9-17)26-24(29)20-14-19(20)16-5-3-2-4-6-16/h2-13,19-20H,14,25H2,1H3,(H,26,29)(H,27,28)/t19-,20-/m1/s1.
What are the key properties of N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 157443710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).