N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide

C16H11NO4 — CID 4914973

IUPACN-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H11NO4/c18-12-7-5-11(6-8-12)17-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9,18H,(H,17,19)
InChIKeyNUJGUJHBLMSFBE-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.75
Rot. Bonds2

About N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide

N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 4914973) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID4914973
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC NameN-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H11NO4/c18-12-7-5-11(6-8-12)17-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9,18H,(H,17,19)
InChIKeyNUJGUJHBLMSFBE-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide (CID 4914973) is N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(O)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is NUJGUJHBLMSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-12-7-5-11(6-8-12)17-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9,18H,(H,17,19).
What are the key properties of N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
N-(4-hydroxyphenyl)-2-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-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4914973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).