4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H23F4NO — CID 152883139

IUPAC4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2CCC(F)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H23F4NO/c1-9-2-5-11(6-3-9)20-14(21)10-4-7-13(16)12(8-10)15(17,18)19/h9-13H,2-8H2,1H3,(H,20,21)
InChIKeyUBWIWBLHOHPMME-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.00
Rot. Bonds2

About 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 152883139) has the molecular formula C15H23F4NO and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID152883139
Molecular FormulaC15H23F4NO
Molecular Weight309.35 g/mol
Exact Mass309.17
IUPAC Name4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2CCC(F)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H23F4NO/c1-9-2-5-11(6-3-9)20-14(21)10-4-7-13(16)12(8-10)15(17,18)19/h9-13H,2-8H2,1H3,(H,20,21)
InChIKeyUBWIWBLHOHPMME-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid
CID 129146280
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
CID 62781125
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 141160513
trans-methyl (1R,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclobutane-1-carboxylate
CID 58817702
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 152883139) is 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC1CCC(NC(=O)C2CCC(F)C(C(F)(F)F)C2)CC1.
What is the InChIKey of 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UBWIWBLHOHPMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F4NO/c1-9-2-5-11(6-3-9)20-14(21)10-4-7-13(16)12(8-10)15(17,18)19/h9-13H,2-8H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 152883139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).