N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C29H28N2O — CID 20886155

IUPACN-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)cc1
InChIInChI=1S/C29H28N2O/c1-21-11-13-22(14-12-21)20-30-29(32)24-15-17-26(18-16-24)31-27-10-6-5-9-25(27)19-28(31)23-7-3-2-4-8-23/h2-4,7-8,11-19H,5-6,9-10,20H2,1H3,(H,30,32)
InChIKeyPWPRXEVELOMETF-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.26
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 20886155) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID20886155
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC NameN-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)cc1
InChIInChI=1S/C29H28N2O/c1-21-11-13-22(14-12-21)20-30-29(32)24-15-17-26(18-16-24)31-27-10-6-5-9-25(27)19-28(31)23-7-3-2-4-8-23/h2-4,7-8,11-19H,5-6,9-10,20H2,1H3,(H,30,32)
InChIKeyPWPRXEVELOMETF-UHFFFAOYSA-N
XLogP6.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
4-[2-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377327
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908798
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377313
N-[2-(1H-indol-3-yl)ethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522083
N-(2,5-dimethoxyphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 46272459
N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 22522043
N-benzyl-4-[5-(4-methylphenyl)-1,3-dihydroisoindol-2-yl]benzamide
CID 101119237
4-[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]benzoic acid
CID 53212873

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 20886155) is N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is Cc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is PWPRXEVELOMETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-21-11-13-22(14-12-21)20-30-29(32)24-15-17-26(18-16-24)31-27-10-6-5-9-25(27)19-28(31)23-7-3-2-4-8-23/h2-4,7-8,11-19H,5-6,9-10,20H2,1H3,(H,30,32).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 20886155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).