(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide

C13H17ClN2O — CID 103794027

IUPAC(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCN1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9(10-5-2-3-6-11(10)14)16-13(17)12-7-4-8-15-12/h2-3,5-6,9,12,15H,4,7-8H2,1H3,(H,16,17)/t9?,12-/m1/s1
InChIKeyVRTPCICMNQGBEY-FFFFSGIJSA-N
MW252.75 g/mol
LogP2.27
Rot. Bonds3

About (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 103794027) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID103794027
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCN1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9(10-5-2-3-6-11(10)14)16-13(17)12-7-4-8-15-12/h2-3,5-6,9,12,15H,4,7-8H2,1H3,(H,16,17)/t9?,12-/m1/s1
InChIKeyVRTPCICMNQGBEY-FFFFSGIJSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (CID 103794027) is (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)[C@H]1CCCN1)c1ccccc1Cl.
What is the InChIKey of (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VRTPCICMNQGBEY-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(10-5-2-3-6-11(10)14)16-13(17)12-7-4-8-15-12/h2-3,5-6,9,12,15H,4,7-8H2,1H3,(H,16,17)/t9?,12-/m1/s1.
What are the key properties of (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 252.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).