N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide

C13H16ClN3O2 — CID 119280739

IUPACN-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCN2)c1
InChIInChI=1S/C13H16ClN3O2/c1-8(18)16-9-4-5-10(14)12(7-9)17-13(19)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,18)(H,17,19)
InChIKeyQWFPSEVOTRLSCN-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.99
Rot. Bonds3

About N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide

N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 119280739) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID119280739
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCN2)c1
InChIInChI=1S/C13H16ClN3O2/c1-8(18)16-9-4-5-10(14)12(7-9)17-13(19)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,18)(H,17,19)
InChIKeyQWFPSEVOTRLSCN-UHFFFAOYSA-N
XLogP1.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide (CID 119280739) is N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is QWFPSEVOTRLSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8(18)16-9-4-5-10(14)12(7-9)17-13(19)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide?
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119280739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).