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

C14H7Cl2NO2 — CID 625977

IUPAC2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C14H7Cl2NO2/c15-10-6-5-8(7-11(10)16)13-17-12-4-2-1-3-9(12)14(18)19-13/h1-7H
InChIKeyYFTNZCJAUKLNBY-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.16
Rot. Bonds1

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

2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one (PubChem CID 625977) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one
PubChem CID625977
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C14H7Cl2NO2/c15-10-6-5-8(7-11(10)16)13-17-12-4-2-1-3-9(12)14(18)19-13/h1-7H
InChIKeyYFTNZCJAUKLNBY-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one (CID 625977) is 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is YFTNZCJAUKLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-10-6-5-8(7-11(10)16)13-17-12-4-2-1-3-9(12)14(18)19-13/h1-7H.
What are the key properties of 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one?
2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one has a molecular weight of 292.12 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 625977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).