N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride

C13H17Cl2N3O2 — CID 119707641

IUPACN-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C13H16ClN3O2.ClH/c1-8(18)16-10-2-3-11(14)12(6-10)17-13(19)9-4-5-15-7-9;/h2-3,6,9,15H,4-5,7H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyOOFDJWPIENFZKV-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.27
Rot. Bonds3

About N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119707641) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119707641
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C13H16ClN3O2.ClH/c1-8(18)16-10-2-3-11(14)12(6-10)17-13(19)9-4-5-15-7-9;/h2-3,6,9,15H,4-5,7H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyOOFDJWPIENFZKV-UHFFFAOYSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 81118445
N-(2-chloro-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 55150235
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119707641) is N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride is CC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNC2)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OOFDJWPIENFZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2.ClH/c1-8(18)16-10-2-3-11(14)12(6-10)17-13(19)9-4-5-15-7-9;/h2-3,6,9,15H,4-5,7H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 318.20 g/mol, XLogP of 2.27, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 119707641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).