4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide

C12H11BrF3NO — CID 113264596

IUPAC4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
SMILESCC1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H11BrF3NO/c1-11(4-5-11)17-10(18)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18)
InChIKeyLSXMBGIEVIWBTL-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.75
Rot. Bonds2

About 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide

4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide (PubChem CID 113264596) has the molecular formula C12H11BrF3NO and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
PubChem CID113264596
Molecular FormulaC12H11BrF3NO
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
SMILESCC1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H11BrF3NO/c1-11(4-5-11)17-10(18)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18)
InChIKeyLSXMBGIEVIWBTL-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-bromo-N-propyl-3-(trifluoromethyl)benzamide
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4-bromo-N-but-2-ynyl-3-(trifluoromethyl)benzamide
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4-bromo-N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180672
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CID 106845802
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide (CID 113264596) is 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide is CC1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is LSXMBGIEVIWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3NO/c1-11(4-5-11)17-10(18)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6H,4-5H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 322.12 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 113264596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).