4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide

C14H8BrClF3NO — CID 81295641

IUPAC4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H8BrClF3NO/c15-11-6-1-8(7-12(11)16)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1-7H,(H,20,21)
InChIKeyWCDJTWXJJJTVGE-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.37
Rot. Bonds2

About 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide

4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 81295641) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID81295641
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC Name4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H8BrClF3NO/c15-11-6-1-8(7-12(11)16)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1-7H,(H,20,21)
InChIKeyWCDJTWXJJJTVGE-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

4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
5-bromo-4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134146320
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide (CID 81295641) is 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WCDJTWXJJJTVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c15-11-6-1-8(7-12(11)16)13(21)20-10-4-2-9(3-5-10)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]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 4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 81295641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).