(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

C14H19ClN2O — CID 98538449

IUPAC(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10-8-16-9-13(10)14(18)17-6-5-11-3-2-4-12(15)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13-/m1/s1
InChIKeyBUAJVAHJQLHJPT-ZWNOBZJWSA-N
MW266.77 g/mol
LogP1.85
Rot. Bonds4

About (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 98538449) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID98538449
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-10-8-16-9-13(10)14(18)17-6-5-11-3-2-4-12(15)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13-/m1/s1
InChIKeyBUAJVAHJQLHJPT-ZWNOBZJWSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 98538449) is (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CNC[C@H]1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is BUAJVAHJQLHJPT-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-8-16-9-13(10)14(18)17-6-5-11-3-2-4-12(15)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13-/m1/s1.
What are the key properties of (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 98538449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).