6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one

C14H7BrClNO3 — CID 81290552

IUPAC6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc(Br)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H7BrClNO3/c15-9-3-1-7(5-10(9)16)13(18)8-2-4-11-12(6-8)20-14(19)17-11/h1-6H,(H,17,19)
InChIKeyCKVNQIMUXMFNBC-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.77
Rot. Bonds2

About 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one

6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 81290552) has the molecular formula C14H7BrClNO3 and a molecular weight of 352.57 g/mol. Its IUPAC name is 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
PubChem CID81290552
Molecular FormulaC14H7BrClNO3
Molecular Weight352.57 g/mol
Exact Mass350.93
IUPAC Name6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc(Br)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H7BrClNO3/c15-9-3-1-7(5-10(9)16)13(18)8-2-4-11-12(6-8)20-14(19)17-11/h1-6H,(H,17,19)
InChIKeyCKVNQIMUXMFNBC-UHFFFAOYSA-N
XLogP3.77
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 82875002
6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
CID 3059536
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
CID 67925044
CID 67925044
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
6-(2,4-difluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161914
6-(2,5-dimethylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161901
6-(2,6-difluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 82797081
(4-bromo-3-chlorophenyl)-(furan-3-yl)methanone
CID 114971763
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one (CID 81290552) is 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one is O=C(c1ccc(Br)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is CKVNQIMUXMFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO3/c15-9-3-1-7(5-10(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-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one?
6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 352.57 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 81290552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).