N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide

C29H26N2O2 — CID 59627328

IUPACN-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CCC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C29H26N2O2/c30-27-18-16-25(23-9-5-2-6-10-23)20-28(27)31-29(33)24-14-11-21(12-15-24)13-17-26(32)19-22-7-3-1-4-8-22/h1-12,14-16,18,20H,13,17,19,30H2,(H,31,33)
InChIKeyWPCMCUHFHRADTK-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.93
Rot. Bonds8

About N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide

N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide (PubChem CID 59627328) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
PubChem CID59627328
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CCC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C29H26N2O2/c30-27-18-16-25(23-9-5-2-6-10-23)20-28(27)31-29(33)24-14-11-21(12-15-24)13-17-26(32)19-22-7-3-1-4-8-22/h1-12,14-16,18,20H,13,17,19,30H2,(H,31,33)
InChIKeyWPCMCUHFHRADTK-UHFFFAOYSA-N
XLogP5.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-(2-amino-5-phenylphenyl)-4-azidobenzamide
CID 62706003
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide (CID 59627328) is N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CCC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide?
The InChIKey is WPCMCUHFHRADTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c30-27-18-16-25(23-9-5-2-6-10-23)20-28(27)31-29(33)24-14-11-21(12-15-24)13-17-26(32)19-22-7-3-1-4-8-22/h1-12,14-16,18,20H,13,17,19,30H2,(H,31,33).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide?
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide is sourced from PubChem (CID 59627328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).