N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide

C16H12IN3O2 — CID 17466374

IUPACN-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1I
InChIInChI=1S/C16H12IN3O2/c17-12-6-2-3-7-13(12)19-16(22)10-20-14-8-4-1-5-11(14)15(21)9-18-20/h1-9H,10H2,(H,19,22)
InChIKeyBEXNQRIRPFSBEE-UHFFFAOYSA-N
MW405.20 g/mol
LogP2.64
Rot. Bonds3

About N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide

N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 17466374) has the molecular formula C16H12IN3O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID17466374
Molecular FormulaC16H12IN3O2
Molecular Weight405.20 g/mol
Exact Mass405.00
IUPAC NameN-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1I
InChIInChI=1S/C16H12IN3O2/c17-12-6-2-3-7-13(12)19-16(22)10-20-14-8-4-1-5-11(14)15(21)9-18-20/h1-9H,10H2,(H,19,22)
InChIKeyBEXNQRIRPFSBEE-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 52.64
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

2-(4-oxocinnolin-1-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 134013002
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-cyclopropyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134012623
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55763290
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 9475700
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 17466374) is N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is BEXNQRIRPFSBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O2/c17-12-6-2-3-7-13(12)19-16(22)10-20-14-8-4-1-5-11(14)15(21)9-18-20/h1-9H,10H2,(H,19,22).
What are the key properties of N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 405.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 17466374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).