2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide

C14H16ClF2NO — CID 119104706

IUPAC2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H16ClF2NO/c15-12-4-2-1-3-10(12)9-13(19)18-11-5-7-14(16,17)8-6-11/h1-4,11H,5-9H2,(H,18,19)
InChIKeyRSYWDYNSOWNMOP-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.58
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide

2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide (PubChem CID 119104706) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide
PubChem CID119104706
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H16ClF2NO/c15-12-4-2-1-3-10(12)9-13(19)18-11-5-7-14(16,17)8-6-11/h1-4,11H,5-9H2,(H,18,19)
InChIKeyRSYWDYNSOWNMOP-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide (CID 119104706) is 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide is O=C(Cc1ccccc1Cl)NC1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide?
The InChIKey is RSYWDYNSOWNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c15-12-4-2-1-3-10(12)9-13(19)18-11-5-7-14(16,17)8-6-11/h1-4,11H,5-9H2,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide?
2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide has a molecular weight of 287.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide is sourced from PubChem (CID 119104706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).