N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H15BrF3NO — CID 47244785

IUPACN-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO/c15-11-7-3-4-8-12(11)19-13(20)9-5-1-2-6-10(9)14(16,17)18/h3-4,7-10H,1-2,5-6H2,(H,19,20)
InChIKeyJAIPOEVPWGRMPL-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.76
Rot. Bonds2

About N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47244785) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47244785
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC NameN-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO/c15-11-7-3-4-8-12(11)19-13(20)9-5-1-2-6-10(9)14(16,17)18/h3-4,7-10H,1-2,5-6H2,(H,19,20)
InChIKeyJAIPOEVPWGRMPL-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
N-[2-(chloromethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622765
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115606431
1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132141
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
(3S,4S)-1-[(2-bromophenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073426

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47244785) is N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccccc1Br)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is JAIPOEVPWGRMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c15-11-7-3-4-8-12(11)19-13(20)9-5-1-2-6-10(9)14(16,17)18/h3-4,7-10H,1-2,5-6H2,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 350.18 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47244785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).