(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide

C16H20ClNO2 — CID 100696828

IUPAC(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC[C@H](O)c1cccc(Cl)c1)[C@H]1CC=CCC1
InChIInChI=1S/C16H20ClNO2/c17-14-8-4-7-13(11-14)15(19)9-10-18-16(20)12-5-2-1-3-6-12/h1-2,4,7-8,11-12,15,19H,3,5-6,9-10H2,(H,18,20)/t12-,15-/m0/s1
InChIKeyHQXNTHPZZOXCJV-WFASDCNBSA-N
MW293.79 g/mol
LogP3.24
Rot. Bonds5

About (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 100696828) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
PubChem CID100696828
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC[C@H](O)c1cccc(Cl)c1)[C@H]1CC=CCC1
InChIInChI=1S/C16H20ClNO2/c17-14-8-4-7-13(11-14)15(19)9-10-18-16(20)12-5-2-1-3-6-12/h1-2,4,7-8,11-12,15,19H,3,5-6,9-10H2,(H,18,20)/t12-,15-/m0/s1
InChIKeyHQXNTHPZZOXCJV-WFASDCNBSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 97106297
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 111108754
(1S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95628511
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 56791232
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide (CID 100696828) is (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide is O=C(NCC[C@H](O)c1cccc(Cl)c1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is HQXNTHPZZOXCJV-WFASDCNBSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-8-4-7-13(11-14)15(19)9-10-18-16(20)12-5-2-1-3-6-12/h1-2,4,7-8,11-12,15,19H,3,5-6,9-10H2,(H,18,20)/t12-,15-/m0/s1.
What are the key properties of (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100696828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).