N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide

C15H10BrClF3NO — CID 52742798

IUPACN-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H10BrClF3NO/c1-21(13-6-5-11(16)8-12(13)17)14(22)9-3-2-4-10(7-9)15(18,19)20/h2-8H,1H3
InChIKeyIQWURZRJYBTNSO-UHFFFAOYSA-N
MW392.60 g/mol
LogP5.40
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide

N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 52742798) has the molecular formula C15H10BrClF3NO and a molecular weight of 392.60 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID52742798
Molecular FormulaC15H10BrClF3NO
Molecular Weight392.60 g/mol
Exact Mass390.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H10BrClF3NO/c1-21(13-6-5-11(16)8-12(13)17)14(22)9-3-2-4-10(7-9)15(18,19)20/h2-8H,1H3
InChIKeyIQWURZRJYBTNSO-UHFFFAOYSA-N
XLogP5.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide (CID 52742798) is N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide is CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is IQWURZRJYBTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF3NO/c1-21(13-6-5-11(16)8-12(13)17)14(22)9-3-2-4-10(7-9)15(18,19)20/h2-8H,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide?
N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 392.60 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 52742798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).