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

C11H13ClN2O — CID 63006640

IUPACN-(3-chlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-3-10(6-9)14-11(15)8-4-5-13-7-8/h1-3,6,8,13H,4-5,7H2,(H,14,15)
InChIKeyHTYHQPTWGQEQMN-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.89
Rot. Bonds2

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

N-(3-chlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 63006640) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)pyrrolidine-3-carboxamide
PubChem CID63006640
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(3-chlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-3-10(6-9)14-11(15)8-4-5-13-7-8/h1-3,6,8,13H,4-5,7H2,(H,14,15)
InChIKeyHTYHQPTWGQEQMN-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)pyrrolidine-3-carboxamide (CID 63006640) is N-(3-chlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCNC1.
What is the InChIKey of N-(3-chlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is HTYHQPTWGQEQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-2-1-3-10(6-9)14-11(15)8-4-5-13-7-8/h1-3,6,8,13H,4-5,7H2,(H,14,15).
What are the key properties of N-(3-chlorophenyl)pyrrolidine-3-carboxamide?
N-(3-chlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).