(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide

C12H15ClN2O — CID 134288449

IUPAC(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c1-14-12(16)9-6-7-15(8-9)11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyOTDZQMCYRYSYFL-SECBINFHSA-N
MW238.72 g/mol
LogP1.91
Rot. Bonds2

About (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 134288449) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID134288449
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c1-14-12(16)9-6-7-15(8-9)11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyOTDZQMCYRYSYFL-SECBINFHSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 171704184
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide (CID 134288449) is (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is OTDZQMCYRYSYFL-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-14-12(16)9-6-7-15(8-9)11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134288449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).