3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide

C14H8BrClF3NO — CID 1326348

IUPAC3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C14H8BrClF3NO/c15-9-3-1-2-8(6-9)13(21)20-12-5-4-10(16)7-11(12)14(17,18)19/h1-7H,(H,20,21)
InChIKeyYCXBMBAVGJRTFV-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.37
Rot. Bonds2

About 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide

3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 1326348) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID1326348
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC Name3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C14H8BrClF3NO/c15-9-3-1-2-8(6-9)13(21)20-12-5-4-10(16)7-11(12)14(17,18)19/h1-7H,(H,20,21)
InChIKeyYCXBMBAVGJRTFV-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 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (CID 1326348) is 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YCXBMBAVGJRTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c15-9-3-1-2-8(6-9)13(21)20-12-5-4-10(16)7-11(12)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
3-bromo-N-[4-chloro-2-(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 3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1326348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).