6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

C17H13NO3 — CID 21036222

IUPAC6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H13NO3/c19-15-3-1-2-14(10-15)18-17(21)13-5-4-12-9-16(20)7-6-11(12)8-13/h1-10,19-20H,(H,18,21)
InChIKeyCXQNPVLQEFHXMA-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.50
Rot. Bonds2

About 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 21036222) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
PubChem CID21036222
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H13NO3/c19-15-3-1-2-14(10-15)18-17(21)13-5-4-12-9-16(20)7-6-11(12)8-13/h1-10,19-20H,(H,18,21)
InChIKeyCXQNPVLQEFHXMA-UHFFFAOYSA-N
XLogP3.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide (CID 21036222) is 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide is O=C(Nc1cccc(O)c1)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is CXQNPVLQEFHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-3-1-2-14(10-15)18-17(21)13-5-4-12-9-16(20)7-6-11(12)8-13/h1-10,19-20H,(H,18,21).
What are the key properties of 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 21036222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).