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

C14H7ClFNO3 — CID 10266302

IUPAC5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(F)c1)c1cc2oc(=O)[nH]c2cc1Cl
InChIInChI=1S/C14H7ClFNO3/c15-10-6-11-12(20-14(19)17-11)5-9(10)13(18)7-2-1-3-8(16)4-7/h1-6H,(H,17,19)
InChIKeyNTWUSVDBJKBDOQ-UHFFFAOYSA-N
MW291.67 g/mol
LogP3.14
Rot. Bonds2

About 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one

5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 10266302) has the molecular formula C14H7ClFNO3 and a molecular weight of 291.67 g/mol. Its IUPAC name is 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
PubChem CID10266302
Molecular FormulaC14H7ClFNO3
Molecular Weight291.67 g/mol
Exact Mass291.01
IUPAC Name5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(F)c1)c1cc2oc(=O)[nH]c2cc1Cl
InChIInChI=1S/C14H7ClFNO3/c15-10-6-11-12(20-14(19)17-11)5-9(10)13(18)7-2-1-3-8(16)4-7/h1-6H,(H,17,19)
InChIKeyNTWUSVDBJKBDOQ-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-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161914
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-fluorophenyl)methanone
CID 43162189
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 169443599
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361332
6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 81290552
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one (CID 10266302) is 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one is O=C(c1cccc(F)c1)c1cc2oc(=O)[nH]c2cc1Cl.
What is the InChIKey of 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is NTWUSVDBJKBDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3/c15-10-6-11-12(20-14(19)17-11)5-9(10)13(18)7-2-1-3-8(16)4-7/h1-6H,(H,17,19).
What are the key properties of 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one?
5-chloro-6-(3-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 5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 10266302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).