1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide

C17H23ClN2O2 — CID 168737013

IUPAC1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
SMILESCNC(=O)[C@@H](C)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H23ClN2O2/c1-12(15(21)19-2)11-20-16(22)17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyIRTVLFYQSIOWLX-LBPRGKRZSA-N
MW322.84 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide (PubChem CID 168737013) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
PubChem CID168737013
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
SMILESCNC(=O)[C@@H](C)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H23ClN2O2/c1-12(15(21)19-2)11-20-16(22)17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyIRTVLFYQSIOWLX-LBPRGKRZSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 95982685
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
CID 65219700
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-methoxybutanoic acid
CID 103153093
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 78841474
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide (CID 168737013) is 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide is CNC(=O)[C@@H](C)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
The InChIKey is IRTVLFYQSIOWLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(15(21)19-2)11-20-16(22)17(9-3-4-10-17)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 168737013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).