N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H14BrClF3NO — CID 115606431

IUPACN-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14BrClF3NO/c15-8-5-6-11(16)12(7-8)20-13(21)9-3-1-2-4-10(9)14(17,18)19/h5-7,9-10H,1-4H2,(H,20,21)
InChIKeyFCHYGATXBFWYMP-UHFFFAOYSA-N
MW384.62 g/mol
LogP5.41
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115606431) has the molecular formula C14H14BrClF3NO and a molecular weight of 384.62 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115606431
Molecular FormulaC14H14BrClF3NO
Molecular Weight384.62 g/mol
Exact Mass382.99
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14BrClF3NO/c15-8-5-6-11(16)12(7-8)20-13(21)9-3-1-2-4-10(9)14(17,18)19/h5-7,9-10H,1-4H2,(H,20,21)
InChIKeyFCHYGATXBFWYMP-UHFFFAOYSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.62
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(5-bromo-2-chlorophenyl)-2-(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-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119178941
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115624423
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622846

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115606431) is N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1cc(Br)ccc1Cl)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is FCHYGATXBFWYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClF3NO/c15-8-5-6-11(16)12(7-8)20-13(21)9-3-1-2-4-10(9)14(17,18)19/h5-7,9-10H,1-4H2,(H,20,21).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 384.62 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115606431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).