3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C14H14BrF4NO — CID 103706617

IUPAC3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H14BrF4NO/c15-11-7-8(1-6-12(11)16)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1,6-7,9-10H,2-5H2,(H,20,21)
InChIKeyRQXOGBVKJGSLRL-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.44
Rot. Bonds2

About 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide

3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 103706617) has the molecular formula C14H14BrF4NO and a molecular weight of 368.17 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID103706617
Molecular FormulaC14H14BrF4NO
Molecular Weight368.17 g/mol
Exact Mass367.02
IUPAC Name3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H14BrF4NO/c15-11-7-8(1-6-12(11)16)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1,6-7,9-10H,2-5H2,(H,20,21)
InChIKeyRQXOGBVKJGSLRL-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
CID 103706469
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
CID 119701795
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-bromo-4-fluorobenzamide
CID 107956016

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 103706617) is 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is RQXOGBVKJGSLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF4NO/c15-11-7-8(1-6-12(11)16)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1,6-7,9-10H,2-5H2,(H,20,21).
What are the key properties of 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 368.17 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 103706617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).