(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

C14H19ClN2O — CID 61164109

IUPAC(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H19ClN2O/c1-10(11-6-3-4-7-12(11)15)17(2)14(18)13-8-5-9-16-13/h3-4,6-7,10,13,16H,5,8-9H2,1-2H3/t10?,13-/m0/s1
InChIKeyQAPCNSYQMYJHIT-HQVZTVAUSA-N
MW266.77 g/mol
LogP2.61
Rot. Bonds3

About (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 61164109) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID61164109
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H19ClN2O/c1-10(11-6-3-4-7-12(11)15)17(2)14(18)13-8-5-9-16-13/h3-4,6-7,10,13,16H,5,8-9H2,1-2H3/t10?,13-/m0/s1
InChIKeyQAPCNSYQMYJHIT-HQVZTVAUSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621637
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
(2R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 104913432
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 61164109) is (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is CC(c1ccccc1Cl)N(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QAPCNSYQMYJHIT-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-6-3-4-7-12(11)15)17(2)14(18)13-8-5-9-16-13/h3-4,6-7,10,13,16H,5,8-9H2,1-2H3/t10?,13-/m0/s1.
What are the key properties of (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61164109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).