N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide

C12H12ClN3O — CID 63005956

IUPACN-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCNC2)ccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-11-2-1-10(5-9(11)6-14)16-12(17)8-3-4-15-7-8/h1-2,5,8,15H,3-4,7H2,(H,16,17)
InChIKeyONXUURZXXGUHRX-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.76
Rot. Bonds2

About N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide

N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide (PubChem CID 63005956) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
PubChem CID63005956
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCNC2)ccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-11-2-1-10(5-9(11)6-14)16-12(17)8-3-4-15-7-8/h1-2,5,8,15H,3-4,7H2,(H,16,17)
InChIKeyONXUURZXXGUHRX-UHFFFAOYSA-N
XLogP1.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
CID 43233967
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
2-[(4-chloro-3-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402776
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
CID 55480232

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide (CID 63005956) is N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide is N#Cc1cc(NC(=O)C2CCNC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide?
The InChIKey is ONXUURZXXGUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-2-1-10(5-9(11)6-14)16-12(17)8-3-4-15-7-8/h1-2,5,8,15H,3-4,7H2,(H,16,17).
What are the key properties of N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide?
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).