(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide

C16H20ClNO2 — CID 99592280

IUPAC(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
SMILESCO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1Cl
InChIInChI=1S/C16H20ClNO2/c1-20-15(13-9-5-6-10-14(13)17)11-18-16(19)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15H,4,7-8,11H2,1H3,(H,18,19)/t12-,15+/m0/s1
InChIKeyMHPXTXOHBIUXLM-SWLSCSKDSA-N
MW293.79 g/mol
LogP3.50
Rot. Bonds5

About (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 99592280) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
PubChem CID99592280
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
SMILESCO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1Cl
InChIInChI=1S/C16H20ClNO2/c1-20-15(13-9-5-6-10-14(13)17)11-18-16(19)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15H,4,7-8,11H2,1H3,(H,18,19)/t12-,15+/m0/s1
InChIKeyMHPXTXOHBIUXLM-SWLSCSKDSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide (CID 99592280) is (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide is CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1Cl.
What is the InChIKey of (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MHPXTXOHBIUXLM-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-20-15(13-9-5-6-10-14(13)17)11-18-16(19)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15H,4,7-8,11H2,1H3,(H,18,19)/t12-,15+/m0/s1.
What are the key properties of (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 99592280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).