1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione

C15H10INO3 — CID 65489350

IUPAC1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C15H10INO3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)20-15(17)19/h1-8H,9H2
InChIKeyILXODHQMRBUITM-UHFFFAOYSA-N
MW379.15 g/mol
LogP2.61
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione

1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione (PubChem CID 65489350) has the molecular formula C15H10INO3 and a molecular weight of 379.15 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione
PubChem CID65489350
Molecular FormulaC15H10INO3
Molecular Weight379.15 g/mol
Exact Mass378.97
IUPAC Name1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C15H10INO3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)20-15(17)19/h1-8H,9H2
InChIKeyILXODHQMRBUITM-UHFFFAOYSA-N
XLogP2.61
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 58989817
1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione
CID 58989914
3-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 141139474
1-benzyl-3,1-benzoxazine-2,4-dione;4H-isochromene-1,3-dione
CID 158268978
1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione;4H-isochromene-1,3-dione
CID 159366449
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide
CID 87500697
1-but-2-enyl-3,1-benzoxazine-2,4-dione
CID 78925095
1-(2-propan-2-yloxyethyl)-3,1-benzoxazine-2,4-dione
CID 19099459
N-[4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]-2-pyridinyl]methanesulfonamide
CID 86615647
1-[(2-methyloxiran-2-yl)methyl]-3,1-benzoxazine-2,4-dione
CID 86604806

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione (CID 65489350) is 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(Cc2ccc(I)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is ILXODHQMRBUITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)20-15(17)19/h1-8H,9H2.
What are the key properties of 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione?
1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 379.15 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 65489350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).