N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H17ClN2O — CID 63006996

IUPACN-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-2-10(8-12)4-7-16-13(17)11-5-6-15-9-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyYRPHWGQINCFHJE-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63006996) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63006996
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-2-10(8-12)4-7-16-13(17)11-5-6-15-9-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyYRPHWGQINCFHJE-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 63006996) is N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CCNC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is YRPHWGQINCFHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-3-1-2-10(8-12)4-7-16-13(17)11-5-6-15-9-11/h1-3,8,11,15H,4-7,9H2,(H,16,17).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).