3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide

C11H10BrClF3NO — CID 104854902

IUPAC3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H10BrClF3NO/c1-6(5-11(14,15)16)17-10(18)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyGWXWZRPDEUIWLK-UHFFFAOYSA-N
MW344.56 g/mol
LogP4.17
Rot. Bonds3

About 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide

3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide (PubChem CID 104854902) has the molecular formula C11H10BrClF3NO and a molecular weight of 344.56 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
PubChem CID104854902
Molecular FormulaC11H10BrClF3NO
Molecular Weight344.56 g/mol
Exact Mass342.96
IUPAC Name3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H10BrClF3NO/c1-6(5-11(14,15)16)17-10(18)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyGWXWZRPDEUIWLK-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
4-chloro-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855063
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
4-bromo-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854996
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855003
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide (CID 104854902) is 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide is CC(CC(F)(F)F)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The InChIKey is GWXWZRPDEUIWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO/c1-6(5-11(14,15)16)17-10(18)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide?
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide has a molecular weight of 344.56 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide is sourced from PubChem (CID 104854902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).