N-(3-chlorophenyl)pyrrolidine-1-carboxamide

C11H13ClN2O — CID 765256

IUPACN-(3-chlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-9-4-3-5-10(8-9)13-11(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15)
InChIKeyOGFAKZKTOPZPFP-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.97
Rot. Bonds1

About N-(3-chlorophenyl)pyrrolidine-1-carboxamide

N-(3-chlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 765256) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)pyrrolidine-1-carboxamide
PubChem CID765256
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(3-chlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H13ClN2O/c12-9-4-3-5-10(8-9)13-11(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15)
InChIKeyOGFAKZKTOPZPFP-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)pyrrolidine-1-carboxamide (CID 765256) is N-(3-chlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is OGFAKZKTOPZPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-4-3-5-10(8-9)13-11(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15).
What are the key properties of N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
N-(3-chlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 765256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).