N-(2-acetylphenyl)pyrrolidine-1-carboxamide

C13H16N2O2 — CID 112724111

IUPACN-(2-acetylphenyl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C13H16N2O2/c1-10(16)11-6-2-3-7-12(11)14-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17)
InChIKeyLGJDRRIBODLZBE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.52
Rot. Bonds2

About N-(2-acetylphenyl)pyrrolidine-1-carboxamide

N-(2-acetylphenyl)pyrrolidine-1-carboxamide (PubChem CID 112724111) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-acetylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)pyrrolidine-1-carboxamide
PubChem CID112724111
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-acetylphenyl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C13H16N2O2/c1-10(16)11-6-2-3-7-12(11)14-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17)
InChIKeyLGJDRRIBODLZBE-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-acetylphenyl)pyrrolidine-1-carboxamide 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-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670631
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
CID 55179038
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-acetylphenyl)pyrrolidine-1-carboxamide (CID 112724111) is N-(2-acetylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)pyrrolidine-1-carboxamide is CC(=O)c1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-acetylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is LGJDRRIBODLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)11-6-2-3-7-12(11)14-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17).
What are the key properties of N-(2-acetylphenyl)pyrrolidine-1-carboxamide?
N-(2-acetylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 112724111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).