N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide

C14H8BrClF3NO — CID 7920374

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClF3NO/c15-12-5-4-10(7-11(12)14(17,18)19)20-13(21)8-2-1-3-9(16)6-8/h1-7H,(H,20,21)
InChIKeyVIXQYAMQRYVPRF-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.37
Rot. Bonds2

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

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide (PubChem CID 7920374) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
PubChem CID7920374
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClF3NO/c15-12-5-4-10(7-11(12)14(17,18)19)20-13(21)8-2-1-3-9(16)6-8/h1-7H,(H,20,21)
InChIKeyVIXQYAMQRYVPRF-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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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide (CID 7920374) is N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide?
The InChIKey is VIXQYAMQRYVPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c15-12-5-4-10(7-11(12)14(17,18)19)20-13(21)8-2-1-3-9(16)6-8/h1-7H,(H,20,21).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide 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-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 7920374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).