2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C15H17F4NO — CID 47021134

IUPAC2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17F4NO/c16-12-6-4-10(5-7-12)8-14(21)20-13-3-1-2-11(9-13)15(17,18)19/h4-7,11,13H,1-3,8-9H2,(H,20,21)
InChIKeyCNJGBJAHYIHHNP-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 47021134) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID47021134
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17F4NO/c16-12-6-4-10(5-7-12)8-14(21)20-13-3-1-2-11(9-13)15(17,18)19/h4-7,11,13H,1-3,8-9H2,(H,20,21)
InChIKeyCNJGBJAHYIHHNP-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 55790893
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 55517214
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 110893358
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 78848521
1-(5-fluoro-2-pyridinyl)-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 99601286
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223783
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 47021134) is 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is O=C(Cc1ccc(F)cc1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is CNJGBJAHYIHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c16-12-6-4-10(5-7-12)8-14(21)20-13-3-1-2-11(9-13)15(17,18)19/h4-7,11,13H,1-3,8-9H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 303.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 47021134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).