N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide

C17H13NO4 — CID 5428517

IUPACN-benzyl-7-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C17H13NO4/c19-13-7-6-12-8-14(17(21)22-15(12)9-13)16(20)18-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,20)
InChIKeyUHTZLPCUVMTDER-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.43
Rot. Bonds3

About N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide

N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 5428517) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-hydroxy-2-oxochromene-3-carboxamide
PubChem CID5428517
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-benzyl-7-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C17H13NO4/c19-13-7-6-12-8-14(17(21)22-15(12)9-13)16(20)18-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,20)
InChIKeyUHTZLPCUVMTDER-UHFFFAOYSA-N
XLogP2.43
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide (CID 5428517) is N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide is O=C(NCc1ccccc1)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is UHTZLPCUVMTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-13-7-6-12-8-14(17(21)22-15(12)9-13)16(20)18-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,20).
What are the key properties of N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide?
N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5428517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).