2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide

C15H18ClF2NO2 — CID 1486250

IUPAC2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide
SMILESCc1cc(Cl)ccc1OC(F)(F)C(=O)NC1CCCCC1
InChIInChI=1S/C15H18ClF2NO2/c1-10-9-11(16)7-8-13(10)21-15(17,18)14(20)19-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,19,20)
InChIKeyAFSBMHSJFMHJBR-UHFFFAOYSA-N
MW317.76 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide

2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide (PubChem CID 1486250) has the molecular formula C15H18ClF2NO2 and a molecular weight of 317.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide
PubChem CID1486250
Molecular FormulaC15H18ClF2NO2
Molecular Weight317.76 g/mol
Exact Mass317.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide
SMILESCc1cc(Cl)ccc1OC(F)(F)C(=O)NC1CCCCC1
InChIInChI=1S/C15H18ClF2NO2/c1-10-9-11(16)7-8-13(10)21-15(17,18)14(20)19-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,19,20)
InChIKeyAFSBMHSJFMHJBR-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
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2-(4-chloro-2-methylphenoxy)-N-(2,6-difluorophenyl)-2,2-difluoroacetamide
CID 1483207
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
(4-chloro-2-methylphenyl) cyclobutanecarboxylate
CID 78768517
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
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2,2-bis(4-chloro-2-methylphenoxy)propanedioic acid
CID 154145035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide (CID 1486250) is 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide is Cc1cc(Cl)ccc1OC(F)(F)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide?
The InChIKey is AFSBMHSJFMHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO2/c1-10-9-11(16)7-8-13(10)21-15(17,18)14(20)19-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide?
2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide has a molecular weight of 317.76 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide is sourced from PubChem (CID 1486250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).