N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide

C12H12ClN3O — CID 78954514

IUPACN-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)N1CCCC1
InChIInChI=1S/C12H12ClN3O/c13-10-4-3-9(8-14)11(7-10)15-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyDPYJCZUNOGWSCX-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.84
Rot. Bonds1

About N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide

N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide (PubChem CID 78954514) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
PubChem CID78954514
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)N1CCCC1
InChIInChI=1S/C12H12ClN3O/c13-10-4-3-9(8-14)11(7-10)15-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyDPYJCZUNOGWSCX-UHFFFAOYSA-N
XLogP2.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
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N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
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CID 79156263
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CID 2697936
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide (CID 78954514) is N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)N1CCCC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide?
The InChIKey is DPYJCZUNOGWSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-4-3-9(8-14)11(7-10)15-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,15,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide?
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 78954514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).