N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide

C20H20N2O — CID 55577942

IUPACN-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C20H20N2O/c1-15-5-7-17(8-6-15)16(2)21-20(23)18-9-11-19(12-10-18)22-13-3-4-14-22/h3-14,16H,1-2H3,(H,21,23)
InChIKeyKXWFRZFLXOTGPJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide

N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 55577942) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID55577942
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C20H20N2O/c1-15-5-7-17(8-6-15)16(2)21-20(23)18-9-11-19(12-10-18)22-13-3-4-14-22/h3-14,16H,1-2H3,(H,21,23)
InChIKeyKXWFRZFLXOTGPJ-UHFFFAOYSA-N
XLogP4.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-methylphenyl)ethyl]-4-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

1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 51323882
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 45153639
3-cyano-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725041
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110302906

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide (CID 55577942) is N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide is Cc1ccc(C(C)NC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is KXWFRZFLXOTGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15-5-7-17(8-6-15)16(2)21-20(23)18-9-11-19(12-10-18)22-13-3-4-14-22/h3-14,16H,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55577942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).