2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide

C20H21ClFNO — CID 142798992

IUPAC2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)C1CCC(F)(c2ccccc2)CC1
InChIInChI=1S/C20H21ClFNO/c21-17-8-6-14(7-9-17)18(19(23)24)15-10-12-20(22,13-11-15)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H2,23,24)
InChIKeyHFURNRJBEDMDMI-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide

2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide (PubChem CID 142798992) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide
PubChem CID142798992
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)C1CCC(F)(c2ccccc2)CC1
InChIInChI=1S/C20H21ClFNO/c21-17-8-6-14(7-9-17)18(19(23)24)15-10-12-20(22,13-11-15)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H2,23,24)
InChIKeyHFURNRJBEDMDMI-UHFFFAOYSA-N
XLogP4.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide (CID 142798992) is 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide is NC(=O)C(c1ccc(Cl)cc1)C1CCC(F)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide?
The InChIKey is HFURNRJBEDMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO/c21-17-8-6-14(7-9-17)18(19(23)24)15-10-12-20(22,13-11-15)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H2,23,24).
What are the key properties of 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide?
2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide has a molecular weight of 345.85 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 142798992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).