N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide

C15H20ClNO2 — CID 100695751

IUPACN-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
SMILESO=C(NCC[C@H](O)c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C15H20ClNO2/c16-13-7-3-6-12(10-13)14(18)8-9-17-15(19)11-4-1-2-5-11/h3,6-7,10-11,14,18H,1-2,4-5,8-9H2,(H,17,19)/t14-/m0/s1
InChIKeyYGHWZQAHWBLPHE-AWEZNQCLSA-N
MW281.78 g/mol
LogP3.07
Rot. Bonds5

About N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide

N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide (PubChem CID 100695751) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
PubChem CID100695751
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
SMILESO=C(NCC[C@H](O)c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C15H20ClNO2/c16-13-7-3-6-12(10-13)14(18)8-9-17-15(19)11-4-1-2-5-11/h3,6-7,10-11,14,18H,1-2,4-5,8-9H2,(H,17,19)/t14-/m0/s1
InChIKeyYGHWZQAHWBLPHE-AWEZNQCLSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 100696828
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115667883
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100773197
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
CID 100696956
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
[1-[[3-(3-chlorophenyl)-3-hydroxypropyl]amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91624388
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide (CID 100695751) is N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide is O=C(NCC[C@H](O)c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide?
The InChIKey is YGHWZQAHWBLPHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-7-3-6-12(10-13)14(18)8-9-17-15(19)11-4-1-2-5-11/h3,6-7,10-11,14,18H,1-2,4-5,8-9H2,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide?
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide has a molecular weight of 281.78 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide is sourced from PubChem (CID 100695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).