3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide

C14H13BrF5NO — CID 176508179

IUPAC3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C14H13BrF5NO/c15-11-7-8(1-2-10(11)14(18,19)20)12(22)21-9-3-5-13(16,17)6-4-9/h1-2,7,9H,3-6H2,(H,21,22)
InChIKeyVGKBEZUYZMWNQH-UHFFFAOYSA-N
MW386.16 g/mol
LogP4.78
Rot. Bonds2

About 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide

3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide (PubChem CID 176508179) has the molecular formula C14H13BrF5NO and a molecular weight of 386.16 g/mol. Its IUPAC name is 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide
PubChem CID176508179
Molecular FormulaC14H13BrF5NO
Molecular Weight386.16 g/mol
Exact Mass385.01
IUPAC Name3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C14H13BrF5NO/c15-11-7-8(1-2-10(11)14(18,19)20)12(22)21-9-3-5-13(16,17)6-4-9/h1-2,7,9H,3-6H2,(H,21,22)
InChIKeyVGKBEZUYZMWNQH-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(oxolan-3-yl)-4-(trifluoromethyl)benzamide
CID 176508175
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
[[3-bromo-5-[(4,4-difluorocyclohexyl)carbamoyl]-1-benzothiophen-2-yl]-difluoromethyl]phosphonic acid
CID 175683061
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
2-bromo-N-(4,4-difluorocyclohexyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
CID 130238250
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide (CID 176508179) is 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide is O=C(NC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide?
The InChIKey is VGKBEZUYZMWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF5NO/c15-11-7-8(1-2-10(11)14(18,19)20)12(22)21-9-3-5-13(16,17)6-4-9/h1-2,7,9H,3-6H2,(H,21,22).
What are the key properties of 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide?
3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide has a molecular weight of 386.16 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 176508179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).