N-(4-iodophenyl)-4-oxochromene-3-carboxamide

C16H10INO3 — CID 51003566

IUPACN-(4-iodophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H10INO3/c17-10-5-7-11(8-6-10)18-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9H,(H,18,20)
InChIKeyYBVRKIFSPHOAAG-UHFFFAOYSA-N
MW391.16 g/mol
LogP3.65
Rot. Bonds2

About N-(4-iodophenyl)-4-oxochromene-3-carboxamide

N-(4-iodophenyl)-4-oxochromene-3-carboxamide (PubChem CID 51003566) has the molecular formula C16H10INO3 and a molecular weight of 391.16 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-oxochromene-3-carboxamide
PubChem CID51003566
Molecular FormulaC16H10INO3
Molecular Weight391.16 g/mol
Exact Mass390.97
IUPAC NameN-(4-iodophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H10INO3/c17-10-5-7-11(8-6-10)18-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9H,(H,18,20)
InChIKeyYBVRKIFSPHOAAG-UHFFFAOYSA-N
XLogP3.65
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(3-chlorophenyl)-4-oxo-4h-chromen-3-carboxamide
CID 132941420
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
6-Iodo-4'-dimethyaminoflavone
CID 11574659
6-Iodo-4'-methylaminoflavone
CID 11632242
5-methoxy-3-phenyl-1H-quinolin-2-one
CID 1485674
2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
N-(3,4-dihydroxyphenyl)-4-oxochromene-3-carboxamide
CID 24894016
4-methoxy-N-phenylbenzamide
CID 346037

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(4-iodophenyl)-4-oxochromene-3-carboxamide (CID 51003566) is N-(4-iodophenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-4-oxochromene-3-carboxamide is O=C(Nc1ccc(I)cc1)c1coc2ccccc2c1=O.
What is the InChIKey of N-(4-iodophenyl)-4-oxochromene-3-carboxamide?
The InChIKey is YBVRKIFSPHOAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO3/c17-10-5-7-11(8-6-10)18-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9H,(H,18,20).
What are the key properties of N-(4-iodophenyl)-4-oxochromene-3-carboxamide?
N-(4-iodophenyl)-4-oxochromene-3-carboxamide has a molecular weight of 391.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 51003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).