4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide

C14H14Br2F3NO — CID 114309058

IUPAC4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H14Br2F3NO/c15-9-2-4-10(5-3-9)20-13(21)8-1-6-12(16)11(7-8)14(17,18)19/h1,6-7,9-10H,2-5H2,(H,20,21)
InChIKeyCKZRZKXTXTWBHK-UHFFFAOYSA-N
MW429.07 g/mol
LogP4.90
Rot. Bonds2

About 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide

4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide (PubChem CID 114309058) has the molecular formula C14H14Br2F3NO and a molecular weight of 429.07 g/mol. Its IUPAC name is 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
PubChem CID114309058
Molecular FormulaC14H14Br2F3NO
Molecular Weight429.07 g/mol
Exact Mass426.94
IUPAC Name4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H14Br2F3NO/c15-9-2-4-10(5-3-9)20-13(21)8-1-6-12(16)11(7-8)14(17,18)19/h1,6-7,9-10H,2-5H2,(H,20,21)
InChIKeyCKZRZKXTXTWBHK-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.07
LogP ≤ 54.90
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

4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
CID 114103962
4-bromo-N-(4-bromocyclohexyl)benzamide
CID 114309063
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide
CID 176508179
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CID 115575186
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CID 143518769
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
CID 62153973
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
CID 103799877
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide (CID 114309058) is 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide is O=C(NC1CCC(Br)CC1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide?
The InChIKey is CKZRZKXTXTWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2F3NO/c15-9-2-4-10(5-3-9)20-13(21)8-1-6-12(16)11(7-8)14(17,18)19/h1,6-7,9-10H,2-5H2,(H,20,21).
What are the key properties of 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide has a molecular weight of 429.07 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 114309058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).