N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide

C14H15BrF3NO — CID 114312028

IUPACN-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15BrF3NO/c15-11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)14(16,17)18/h5-8,11-12H,1-4H2,(H,19,20)
InChIKeyBADAEEQXRXDPPI-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.14
Rot. Bonds2

About N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide

N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide (PubChem CID 114312028) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
PubChem CID114312028
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC NameN-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15BrF3NO/c15-11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)14(16,17)18/h5-8,11-12H,1-4H2,(H,19,20)
InChIKeyBADAEEQXRXDPPI-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872
N-(2-bromocycloheptyl)-4-cyanobenzamide
CID 113395146
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
CID 67060770

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide (CID 114312028) is N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide is O=C(NC1CCCCC1Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide?
The InChIKey is BADAEEQXRXDPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c15-11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)14(16,17)18/h5-8,11-12H,1-4H2,(H,19,20).
What are the key properties of N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide?
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide has a molecular weight of 350.18 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 114312028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).