N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide

C12H13ClN2O2 — CID 6457135

IUPACN-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
SMILESO=C(NC(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-10-5-3-9(4-6-10)11(16)14-12(17)15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H,14,16,17)
InChIKeyGOGLRAYUDPPIIH-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.29
Rot. Bonds1

About N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide

N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide (PubChem CID 6457135) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
PubChem CID6457135
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
SMILESO=C(NC(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-10-5-3-9(4-6-10)11(16)14-12(17)15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H,14,16,17)
InChIKeyGOGLRAYUDPPIIH-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
N-[(Z)-3-(4-chlorophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide
CID 171987181
N-[(Z)-1-chloro-1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 56676967
4-chloro-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide
CID 157445523
N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
CID 68972565
N-[2-(4-chlorophenyl)propan-2-yl]azepane-1-carboxamide
CID 113216316
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
CID 23992308
4-chloro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26161998
N-acetyl-4-chlorobenzamide
CID 11735747
N-[1-(4-chlorophenyl)cyclopropyl]pyrrolidine-1-carboxamide
CID 110490806
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide (CID 6457135) is N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide is O=C(NC(=O)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide?
The InChIKey is GOGLRAYUDPPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-5-3-9(4-6-10)11(16)14-12(17)15-7-1-2-8-15/h3-6H,1-2,7-8H2,(H,14,16,17).
What are the key properties of N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide?
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 6457135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).