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

C15H7ClF4N2O2 — CID 67408394

IUPACN-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2cc(Cl)ccc12)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H7ClF4N2O2/c16-7-1-3-10-12(5-7)24-22-13(10)21-14(23)9-4-2-8(17)6-11(9)15(18,19)20/h1-6H,(H,21,22,23)
InChIKeyOXOGLCGXEWZPQX-UHFFFAOYSA-N
MW358.68 g/mol
LogP4.89
Rot. Bonds2

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

N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 67408394) has the molecular formula C15H7ClF4N2O2 and a molecular weight of 358.68 g/mol. Its IUPAC name is N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID67408394
Molecular FormulaC15H7ClF4N2O2
Molecular Weight358.68 g/mol
Exact Mass358.01
IUPAC NameN-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2cc(Cl)ccc12)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H7ClF4N2O2/c16-7-1-3-10-12(5-7)24-22-13(10)21-14(23)9-4-2-8(17)6-11(9)15(18,19)20/h1-6H,(H,21,22,23)
InChIKeyOXOGLCGXEWZPQX-UHFFFAOYSA-N
XLogP4.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.68
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide
CID 11988534
N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 11990244
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 66549068
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
CID 22099637
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 22099714
N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69431084
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
CID 166430967
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide (CID 67408394) is N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide is O=C(Nc1noc2cc(Cl)ccc12)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is OXOGLCGXEWZPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF4N2O2/c16-7-1-3-10-12(5-7)24-22-13(10)21-14(23)9-4-2-8(17)6-11(9)15(18,19)20/h1-6H,(H,21,22,23).
What are the key properties of N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 358.68 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 67408394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).