2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C14H9Cl2NO2 — CID 3107223

IUPAC2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc(Cl)cc2Cl)Oc2ccccc21
InChIInChI=1S/C14H9Cl2NO2/c15-8-5-6-9(11(16)7-8)14-17-13(18)10-3-1-2-4-12(10)19-14/h1-7,14H,(H,17,18)
InChIKeyGBUZCVHBZZUJAZ-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.81
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one

2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 3107223) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID3107223
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc(Cl)cc2Cl)Oc2ccccc21
InChIInChI=1S/C14H9Cl2NO2/c15-8-5-6-9(11(16)7-8)14-17-13(18)10-3-1-2-4-12(10)19-14/h1-7,14H,(H,17,18)
InChIKeyGBUZCVHBZZUJAZ-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 3107223) is 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NC(c2ccc(Cl)cc2Cl)Oc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is GBUZCVHBZZUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-8-5-6-9(11(16)7-8)14-17-13(18)10-3-1-2-4-12(10)19-14/h1-7,14H,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 294.14 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 3107223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).