2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one

C14H6Cl2INO2 — CID 2732636

IUPAC2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc(I)cc12
InChIInChI=1S/C14H6Cl2INO2/c15-7-1-3-9(11(16)5-7)13-18-12-4-2-8(17)6-10(12)14(19)20-13/h1-6H
InChIKeyYHCJMFWMMXTBLC-UHFFFAOYSA-N
MW418.02 g/mol
LogP4.77
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one

2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one (PubChem CID 2732636) has the molecular formula C14H6Cl2INO2 and a molecular weight of 418.02 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one
PubChem CID2732636
Molecular FormulaC14H6Cl2INO2
Molecular Weight418.02 g/mol
Exact Mass416.88
IUPAC Name2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc(I)cc12
InChIInChI=1S/C14H6Cl2INO2/c15-7-1-3-9(11(16)5-7)13-18-12-4-2-8(17)6-10(12)14(19)20-13/h1-6H
InChIKeyYHCJMFWMMXTBLC-UHFFFAOYSA-N
XLogP4.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.02
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one (CID 2732636) is 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one is O=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc(I)cc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one?
The InChIKey is YHCJMFWMMXTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2INO2/c15-7-1-3-9(11(16)5-7)13-18-12-4-2-8(17)6-10(12)14(19)20-13/h1-6H.
What are the key properties of 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one?
2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one has a molecular weight of 418.02 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-iodo-3,1-benzoxazin-4-one is sourced from PubChem (CID 2732636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).