6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one

C14H7ClFNO3 — CID 82875002

IUPAC6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc(F)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H7ClFNO3/c15-9-5-7(1-3-10(9)16)13(18)8-2-4-11-12(6-8)20-14(19)17-11/h1-6H,(H,17,19)
InChIKeyWBLFKGOGTJJTMF-UHFFFAOYSA-N
MW291.67 g/mol
LogP3.14
Rot. Bonds2

About 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one

6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 82875002) has the molecular formula C14H7ClFNO3 and a molecular weight of 291.67 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
PubChem CID82875002
Molecular FormulaC14H7ClFNO3
Molecular Weight291.67 g/mol
Exact Mass291.01
IUPAC Name6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc(F)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H7ClFNO3/c15-9-5-7(1-3-10(9)16)13(18)8-2-4-11-12(6-8)20-14(19)17-11/h1-6H,(H,17,19)
InChIKeyWBLFKGOGTJJTMF-UHFFFAOYSA-N
XLogP3.14
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 81290552
6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081
6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161914
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
CID 3059536
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 103298323
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
6-(2,5-dimethylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161901
5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 10266302
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one (CID 82875002) is 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one is O=C(c1ccc(F)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is WBLFKGOGTJJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3/c15-9-5-7(1-3-10(9)16)13(18)8-2-4-11-12(6-8)20-14(19)17-11/h1-6H,(H,17,19).
What are the key properties of 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 291.67 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82875002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).