N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide

C14H8BrClF3NO — CID 81261644

IUPACN-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8BrClF3NO/c15-11-6-5-10(16)7-12(11)20-13(21)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyFPOBAOPZNPPMCZ-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.37
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide

N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 81261644) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
PubChem CID81261644
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8BrClF3NO/c15-11-6-5-10(16)7-12(11)20-13(21)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyFPOBAOPZNPPMCZ-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide (CID 81261644) is N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)ccc1Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is FPOBAOPZNPPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c15-11-6-5-10(16)7-12(11)20-13(21)8-1-3-9(4-2-8)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide?
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 378.58 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 81261644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).