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

C18H13NO3 — CID 155552400

IUPACN-(4-ethenylphenyl)-4-oxochromene-3-carboxamide
SMILESC=Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C18H13NO3/c1-2-12-7-9-13(10-8-12)19-18(21)15-11-22-16-6-4-3-5-14(16)17(15)20/h2-11H,1H2,(H,19,21)
InChIKeyVVKQNFVXFMIAAW-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.69
Rot. Bonds3

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

N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide (PubChem CID 155552400) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-4-oxochromene-3-carboxamide
PubChem CID155552400
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC NameN-(4-ethenylphenyl)-4-oxochromene-3-carboxamide
SMILESC=Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C18H13NO3/c1-2-12-7-9-13(10-8-12)19-18(21)15-11-22-16-6-4-3-5-14(16)17(15)20/h2-11H,1H2,(H,19,21)
InChIKeyVVKQNFVXFMIAAW-UHFFFAOYSA-N
XLogP3.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
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CID 724200
4-Methoxy-N-(3-methylphenyl)benzamide
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(E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one
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CID 584690
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
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6-Iodo-4'-methylaminoflavone
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide (CID 155552400) is N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide is C=Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is VVKQNFVXFMIAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-2-12-7-9-13(10-8-12)19-18(21)15-11-22-16-6-4-3-5-14(16)17(15)20/h2-11H,1H2,(H,19,21).
What are the key properties of N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide?
N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 155552400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).