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

C16H11NO4 — CID 155563026

IUPACN-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO4/c18-11-5-3-4-10(8-11)17-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9,18H,(H,17,20)
InChIKeyRGDKKXUMDRLXAG-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.75
Rot. Bonds2

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

N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide (PubChem CID 155563026) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide
PubChem CID155563026
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC NameN-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO4/c18-11-5-3-4-10(8-11)17-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9,18H,(H,17,20)
InChIKeyRGDKKXUMDRLXAG-UHFFFAOYSA-N
XLogP2.75
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-oxo-4h-chromen-3-carboxamide
CID 132941420
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806
N-(4-Ethoxyphenyl)-2-hydroxybenzamide
CID 94777
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
5-methoxy-3-phenyl-1H-quinolin-2-one
CID 1485674
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
N-(3,4-dihydroxyphenyl)-4-oxochromene-3-carboxamide
CID 24894016
N-(3,4-dihydroxyphenyl)-4-oxochromene-2-carboxamide
CID 25027421
3-[(3-hydroxyphenyl)amino]-4-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539467
2-Hydroxy-5-iodo-N-(4-methoxy-phenyl)-benzamide
CID 27228916

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide (CID 155563026) is N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide is O=C(Nc1cccc(O)c1)c1coc2ccccc2c1=O.
What is the InChIKey of N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is RGDKKXUMDRLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-11-5-3-4-10(8-11)17-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9,18H,(H,17,20).
What are the key properties of N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide?
N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 155563026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).