3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C9H6Br2F3NO2 — CID 7535357

IUPAC3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H6Br2F3NO2/c10-4-1-5(7(16)6(11)2-4)8(17)15-3-9(12,13)14/h1-2,16H,3H2,(H,15,17)
InChIKeyIJCHZAKISBHHKC-UHFFFAOYSA-N
MW376.95 g/mol
LogP3.21
Rot. Bonds2

About 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 7535357) has the molecular formula C9H6Br2F3NO2 and a molecular weight of 376.95 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID7535357
Molecular FormulaC9H6Br2F3NO2
Molecular Weight376.95 g/mol
Exact Mass374.87
IUPAC Name3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H6Br2F3NO2/c10-4-1-5(7(16)6(11)2-4)8(17)15-3-9(12,13)14/h1-2,16H,3H2,(H,15,17)
InChIKeyIJCHZAKISBHHKC-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370282
4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 174363574
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
2-bromo-4-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 155490129
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)
CID 4036118
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172610049
4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 163582712

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 7535357) is 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IJCHZAKISBHHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F3NO2/c10-4-1-5(7(16)6(11)2-4)8(17)15-3-9(12,13)14/h1-2,16H,3H2,(H,15,17).
What are the key properties of 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 376.95 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 7535357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).