N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119714145

IUPACN-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-16-13(18)10-3-5-12(6-4-10)17-14(19)11-7-8-15-9-11;/h3-6,11,15H,2,7-9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyRZYAHXAFZBBCFE-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.41
Rot. Bonds4

About N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119714145) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119714145
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-16-13(18)10-3-5-12(6-4-10)17-14(19)11-7-8-15-9-11;/h3-6,11,15H,2,7-9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyRZYAHXAFZBBCFE-UHFFFAOYSA-N
XLogP1.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride 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-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119713611
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119714145) is N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is CCNC(=O)c1ccc(NC(=O)C2CCNC2)cc1.Cl.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RZYAHXAFZBBCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-2-16-13(18)10-3-5-12(6-4-10)17-14(19)11-7-8-15-9-11;/h3-6,11,15H,2,7-9H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119714145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).