N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide

C14H8BrClF3NO — CID 62909273

IUPACN-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8BrClF3NO/c15-10-4-5-11(16)12(7-10)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyGCWQCSDTEMVONJ-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.37
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide

N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 62909273) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
PubChem CID62909273
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8BrClF3NO/c15-10-4-5-11(16)12(7-10)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyGCWQCSDTEMVONJ-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-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 2801245
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide (CID 62909273) is N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(Br)ccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is GCWQCSDTEMVONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c15-10-4-5-11(16)12(7-10)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide?
N-(5-bromo-2-chlorophenyl)-3-(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-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62909273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).