N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide

C26H24N2O — CID 59800755

IUPACN-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C26H24N2O/c1-21-13-15-23(16-14-21)20-28(19-22-9-3-2-4-10-22)26(29)24-11-5-6-12-25(24)27-17-7-8-18-27/h2-18H,19-20H2,1H3
InChIKeyKRQBRISIQFFXDC-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.63
Rot. Bonds6

About N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide

N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide (PubChem CID 59800755) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
PubChem CID59800755
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC NameN-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C26H24N2O/c1-21-13-15-23(16-14-21)20-28(19-22-9-3-2-4-10-22)26(29)24-11-5-6-12-25(24)27-17-7-8-18-27/h2-18H,19-20H2,1H3
InChIKeyKRQBRISIQFFXDC-UHFFFAOYSA-N
XLogP5.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide 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-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-benzyl-2-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4297414
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22566961
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567018
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785956
N-benzyl-N-(2-bromoethyl)-2-fluoro-4-methylbenzamide
CID 80656052

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide (CID 59800755) is N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide is Cc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2-n2cccc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The InChIKey is KRQBRISIQFFXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-21-13-15-23(16-14-21)20-28(19-22-9-3-2-4-10-22)26(29)24-11-5-6-12-25(24)27-17-7-8-18-27/h2-18H,19-20H2,1H3.
What are the key properties of N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 59800755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).