2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide

C16H22ClNO3 — CID 62224981

IUPAC2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(Cl)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H22ClNO3/c1-20-13-8-11(9-14(10-13)21-2)15(17)16(19)18-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyIZIDHQLWYRNGPP-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide

2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 62224981) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID62224981
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(Cl)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H22ClNO3/c1-20-13-8-11(9-14(10-13)21-2)15(17)16(19)18-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyIZIDHQLWYRNGPP-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
CID 55048151
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
CID 62496114
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665694
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide (CID 62224981) is 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(OC)cc(C(Cl)C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is IZIDHQLWYRNGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-20-13-8-11(9-14(10-13)21-2)15(17)16(19)18-12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide?
2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 62224981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).