2-bromo-5-(trifluoromethyl)benzamide

C8H5BrF3NO — CID 53416666

IUPAC2-bromo-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C8H5BrF3NO/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKeyOIRSIPJJRLKBRQ-UHFFFAOYSA-N
MW268.03 g/mol
LogP2.57
Rot. Bonds1

About 2-bromo-5-(trifluoromethyl)benzamide

2-bromo-5-(trifluoromethyl)benzamide (PubChem CID 53416666) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)benzamide
PubChem CID53416666
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC Name2-bromo-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C8H5BrF3NO/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKeyOIRSIPJJRLKBRQ-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-5-(trifluoromethyl)benzamide (CID 53416666) is 2-bromo-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)benzamide?
The InChIKey is OIRSIPJJRLKBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14).
What are the key properties of 2-bromo-5-(trifluoromethyl)benzamide?
2-bromo-5-(trifluoromethyl)benzamide has a molecular weight of 268.03 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 53416666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).