4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H8BrClF3NO — CID 80975840

IUPAC4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClF3NO/c1-16(5-10(13,14)15)9(17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyNVOLXXRMIWJJKS-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.74
Rot. Bonds2

About 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 80975840) has the molecular formula C10H8BrClF3NO and a molecular weight of 330.53 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID80975840
Molecular FormulaC10H8BrClF3NO
Molecular Weight330.53 g/mol
Exact Mass328.94
IUPAC Name4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClF3NO/c1-16(5-10(13,14)15)9(17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyNVOLXXRMIWJJKS-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107492122
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371150

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 80975840) is 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NVOLXXRMIWJJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO/c1-16(5-10(13,14)15)9(17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 330.53 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 80975840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).