N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C17H15IN2O4 — CID 47088024

IUPACN-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(I)c(NC(=O)CN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C17H15IN2O4/c1-23-11-6-7-12(18)13(8-11)19-16(21)9-20-14-4-2-3-5-15(14)24-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyGLUJTKWMCIXLLX-UHFFFAOYSA-N
MW438.22 g/mol
LogP2.66
Rot. Bonds4

About N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 47088024) has the molecular formula C17H15IN2O4 and a molecular weight of 438.22 g/mol. Its IUPAC name is N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID47088024
Molecular FormulaC17H15IN2O4
Molecular Weight438.22 g/mol
Exact Mass438.01
IUPAC NameN-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(I)c(NC(=O)CN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C17H15IN2O4/c1-23-11-6-7-12(18)13(8-11)19-16(21)9-20-14-4-2-3-5-15(14)24-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyGLUJTKWMCIXLLX-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 954212
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9462812
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 51046883
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2205365
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 18144949
N'-[2-(4-ethoxyphenyl)sulfanylacetyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 9429427
N-[4-(2-chlorophenoxy)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24529854

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 47088024) is N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(I)c(NC(=O)CN2C(=O)COc3ccccc32)c1.
What is the InChIKey of N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is GLUJTKWMCIXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O4/c1-23-11-6-7-12(18)13(8-11)19-16(21)9-20-14-4-2-3-5-15(14)24-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 438.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 47088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).