N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H14BrClF3NO — CID 107620593

IUPACN-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14BrClF3NO/c15-11-6-5-8(7-12(11)16)20-13(21)9-3-1-2-4-10(9)14(17,18)19/h5-7,9-10H,1-4H2,(H,20,21)
InChIKeyQFPZBMRWKDNYAS-UHFFFAOYSA-N
MW384.62 g/mol
LogP5.41
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107620593) has the molecular formula C14H14BrClF3NO and a molecular weight of 384.62 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107620593
Molecular FormulaC14H14BrClF3NO
Molecular Weight384.62 g/mol
Exact Mass382.99
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14BrClF3NO/c15-11-6-5-8(7-12(11)16)20-13(21)9-3-1-2-4-10(9)14(17,18)19/h5-7,9-10H,1-4H2,(H,20,21)
InChIKeyQFPZBMRWKDNYAS-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

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119178941
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115606431
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 87002288
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583698
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107620593) is N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QFPZBMRWKDNYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClF3NO/c15-11-6-5-8(7-12(11)16)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-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-bromo-3-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-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107620593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).