3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide

C18H13NO3 — CID 59599745

IUPAC3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C18H13NO3/c19-18(22)14-3-1-2-11(9-14)12-4-6-15-13(8-12)5-7-17(21)16(15)10-20/h1-10,21H,(H2,19,22)
InChIKeyYLFDUSIQIDDQAM-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.12
Rot. Bonds3

About 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide

3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide (PubChem CID 59599745) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide
PubChem CID59599745
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C18H13NO3/c19-18(22)14-3-1-2-11(9-14)12-4-6-15-13(8-12)5-7-17(21)16(15)10-20/h1-10,21H,(H2,19,22)
InChIKeyYLFDUSIQIDDQAM-UHFFFAOYSA-N
XLogP3.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
The IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide (CID 59599745) is 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide.
What is the SMILES notation for 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
The canonical SMILES for 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide is NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.
What is the InChIKey of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
The InChIKey is YLFDUSIQIDDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c19-18(22)14-3-1-2-11(9-14)12-4-6-15-13(8-12)5-7-17(21)16(15)10-20/h1-10,21H,(H2,19,22).
What are the key properties of 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide has a molecular weight of 291.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide is sourced from PubChem (CID 59599745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).