4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

C11H10BrClF3NO — CID 80976268

IUPAC4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClF3NO/c1-17(5-4-11(14,15)16)10(18)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeySHNOEAYOBUBITR-UHFFFAOYSA-N
MW344.56 g/mol
LogP4.13
Rot. Bonds3

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

4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 80976268) has the molecular formula C11H10BrClF3NO and a molecular weight of 344.56 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID80976268
Molecular FormulaC11H10BrClF3NO
Molecular Weight344.56 g/mol
Exact Mass342.96
IUPAC Name4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClF3NO/c1-17(5-4-11(14,15)16)10(18)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeySHNOEAYOBUBITR-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833486
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
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999072
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (CID 80976268) is 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is CN(CCC(F)(F)F)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is SHNOEAYOBUBITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO/c1-17(5-4-11(14,15)16)10(18)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 344.56 g/mol, XLogP of 4.13, 3 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-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 80976268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).