2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide

C16H11IN2O3 — CID 19030608

IUPAC2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
SMILESCN(C(=O)c1ccccc1I)c1nc2ccccc2c(=O)o1
InChIInChI=1S/C16H11IN2O3/c1-19(14(20)10-6-2-4-8-12(10)17)16-18-13-9-5-3-7-11(13)15(21)22-16/h2-9H,1H3
InChIKeyKAMMLJSVVMZRSW-UHFFFAOYSA-N
MW406.18 g/mol
LogP3.07
Rot. Bonds2

About 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide

2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide (PubChem CID 19030608) has the molecular formula C16H11IN2O3 and a molecular weight of 406.18 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
PubChem CID19030608
Molecular FormulaC16H11IN2O3
Molecular Weight406.18 g/mol
Exact Mass405.98
IUPAC Name2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
SMILESCN(C(=O)c1ccccc1I)c1nc2ccccc2c(=O)o1
InChIInChI=1S/C16H11IN2O3/c1-19(14(20)10-6-2-4-8-12(10)17)16-18-13-9-5-3-7-11(13)15(21)22-16/h2-9H,1H3
InChIKeyKAMMLJSVVMZRSW-UHFFFAOYSA-N
XLogP3.07
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide (CID 19030608) is 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide is CN(C(=O)c1ccccc1I)c1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
The InChIKey is KAMMLJSVVMZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O3/c1-19(14(20)10-6-2-4-8-12(10)17)16-18-13-9-5-3-7-11(13)15(21)22-16/h2-9H,1H3.
What are the key properties of 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide has a molecular weight of 406.18 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide is sourced from PubChem (CID 19030608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).