N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide

C15H7BrF4N2O2 — CID 11989305

IUPACN-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2cc(Br)ccc12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H7BrF4N2O2/c16-8-2-3-9-12(6-8)24-22-13(9)21-14(23)7-1-4-10(11(17)5-7)15(18,19)20/h1-6H,(H,21,22,23)
InChIKeyIIGYNCRCKWZBJU-UHFFFAOYSA-N
MW403.13 g/mol
LogP5.00
Rot. Bonds2

About N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide

N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 11989305) has the molecular formula C15H7BrF4N2O2 and a molecular weight of 403.13 g/mol. Its IUPAC name is N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
PubChem CID11989305
Molecular FormulaC15H7BrF4N2O2
Molecular Weight403.13 g/mol
Exact Mass401.96
IUPAC NameN-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2cc(Br)ccc12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H7BrF4N2O2/c16-8-2-3-9-12(6-8)24-22-13(9)21-14(23)7-1-4-10(11(17)5-7)15(18,19)20/h1-6H,(H,21,22,23)
InChIKeyIIGYNCRCKWZBJU-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.13
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 11990244
N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 178063578
N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 67408394
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
N-(6-bromo-1,2-benzoxazol-3-yl)-3-methylbutanamide
CID 11988535
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
3-fluoro-N-(iodomethyl)-4-(trifluoromethyl)benzamide
CID 162579994
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
CID 63971624
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 115735305
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide (CID 11989305) is N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide is O=C(Nc1noc2cc(Br)ccc12)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is IIGYNCRCKWZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF4N2O2/c16-8-2-3-9-12(6-8)24-22-13(9)21-14(23)7-1-4-10(11(17)5-7)15(18,19)20/h1-6H,(H,21,22,23).
What are the key properties of N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 403.13 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11989305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).