1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone

C17H23ClN2O — CID 60947722

IUPAC1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
SMILESO=C(CNC1CCCC1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c18-15-9-4-3-8-14(15)16-10-5-11-20(16)17(21)12-19-13-6-1-2-7-13/h3-4,8-9,13,16,19H,1-2,5-7,10-12H2
InChIKeyGTRJTQFZKGPJNG-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone (PubChem CID 60947722) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
PubChem CID60947722
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
SMILESO=C(CNC1CCCC1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c18-15-9-4-3-8-14(15)16-10-5-11-20(16)17(21)12-19-13-6-1-2-7-13/h3-4,8-9,13,16,19H,1-2,5-7,10-12H2
InChIKeyGTRJTQFZKGPJNG-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
CID 94610145
N-[4-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 87028050
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
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
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone (CID 60947722) is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone is O=C(CNC1CCCC1)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone?
The InChIKey is GTRJTQFZKGPJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-9-4-3-8-14(15)16-10-5-11-20(16)17(21)12-19-13-6-1-2-7-13/h3-4,8-9,13,16,19H,1-2,5-7,10-12H2.
What are the key properties of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone?
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone has a molecular weight of 306.84 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone is sourced from PubChem (CID 60947722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).