N-(4-chlorophenyl)pyrrolidine-3-carboxamide

C11H13ClN2O — CID 63006642

IUPACN-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C11H13ClN2O/c12-9-1-3-10(4-2-9)14-11(15)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15)
InChIKeyACHUFWJUNLHTDL-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.89
Rot. Bonds2

About N-(4-chlorophenyl)pyrrolidine-3-carboxamide

N-(4-chlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 63006642) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)pyrrolidine-3-carboxamide
PubChem CID63006642
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C11H13ClN2O/c12-9-1-3-10(4-2-9)14-11(15)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15)
InChIKeyACHUFWJUNLHTDL-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-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)pyrrolidine-3-carboxamide (CID 63006642) is N-(4-chlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCNC1.
What is the InChIKey of N-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is ACHUFWJUNLHTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-1-3-10(4-2-9)14-11(15)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15).
What are the key properties of N-(4-chlorophenyl)pyrrolidine-3-carboxamide?
N-(4-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-(4-chlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).