2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide

C15H18ClF2NO2 — CID 62226849

IUPAC2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18ClF2NO2/c16-13(14(20)19-11-4-2-1-3-5-11)10-6-8-12(9-7-10)21-15(17)18/h6-9,11,13,15H,1-5H2,(H,19,20)
InChIKeyTVRPLQAGMGARTO-UHFFFAOYSA-N
MW317.76 g/mol
LogP4.02
Rot. Bonds5

About 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide

2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 62226849) has the molecular formula C15H18ClF2NO2 and a molecular weight of 317.76 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID62226849
Molecular FormulaC15H18ClF2NO2
Molecular Weight317.76 g/mol
Exact Mass317.10
IUPAC Name2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18ClF2NO2/c16-13(14(20)19-11-4-2-1-3-5-11)10-6-8-12(9-7-10)21-15(17)18/h6-9,11,13,15H,1-5H2,(H,19,20)
InChIKeyTVRPLQAGMGARTO-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
CID 62496114
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
CID 115525365
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 47010791
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
CID 62224981
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 6905797
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide (CID 62226849) is 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide is O=C(NC1CCCCC1)C(Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is TVRPLQAGMGARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO2/c16-13(14(20)19-11-4-2-1-3-5-11)10-6-8-12(9-7-10)21-15(17)18/h6-9,11,13,15H,1-5H2,(H,19,20).
What are the key properties of 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 317.76 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 62226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).