N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide

C20H20N2O — CID 110295328

IUPACN-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
SMILESCCN(C(=O)c1cccc(-n2cccc2)c1)c1cccc(C)c1
InChIInChI=1S/C20H20N2O/c1-3-22(19-11-6-8-16(2)14-19)20(23)17-9-7-10-18(15-17)21-12-4-5-13-21/h4-15H,3H2,1-2H3
InChIKeyARPGBHAFJITEPV-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.45
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide

N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide (PubChem CID 110295328) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
PubChem CID110295328
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
SMILESCCN(C(=O)c1cccc(-n2cccc2)c1)c1cccc(C)c1
InChIInChI=1S/C20H20N2O/c1-3-22(19-11-6-8-16(2)14-19)20(23)17-9-7-10-18(15-17)21-12-4-5-13-21/h4-15H,3H2,1-2H3
InChIKeyARPGBHAFJITEPV-UHFFFAOYSA-N
XLogP4.45
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(3-methylphenyl)-3-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

3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056588
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109057447
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide (CID 110295328) is N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide is CCN(C(=O)c1cccc(-n2cccc2)c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is ARPGBHAFJITEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-22(19-11-6-8-16(2)14-19)20(23)17-9-7-10-18(15-17)21-12-4-5-13-21/h4-15H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide?
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110295328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).