(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide

C16H21ClN2O — CID 51694860

IUPAC(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O/c17-14-9-4-3-8-13(14)15-10-5-11-19(15)16(20)18-12-6-1-2-7-12/h3-4,8-9,12,15H,1-2,5-7,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyWJWPCGDMIVIDHG-HNNXBMFYSA-N
MW292.81 g/mol
LogP4.13
Rot. Bonds2

About (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide

(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide (PubChem CID 51694860) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
PubChem CID51694860
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O/c17-14-9-4-3-8-13(14)15-10-5-11-19(15)16(20)18-12-6-1-2-7-12/h3-4,8-9,12,15H,1-2,5-7,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyWJWPCGDMIVIDHG-HNNXBMFYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
(2R)-2-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031954
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
methyl 2-[[2-(2-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50945778
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
CID 94610145

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide (CID 51694860) is (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide is O=C(NC1CCCC1)N1CCC[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide?
The InChIKey is WJWPCGDMIVIDHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-9-4-3-8-13(14)15-10-5-11-19(15)16(20)18-12-6-1-2-7-12/h3-4,8-9,12,15H,1-2,5-7,10-11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide?
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide has a molecular weight of 292.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51694860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).