N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide

C20H14N2O3 — CID 45109193

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H14N2O3/c23-18-11-14-6-2-1-5-13(14)10-17(18)20(24)22-21-12-16-9-15-7-3-4-8-19(15)25-16/h1-12,23H,(H,22,24)/b21-12+
InChIKeySAAYQUFZMUBOCG-CIAFOILYSA-N
MW330.34 g/mol
LogP4.06
Rot. Bonds3

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 45109193) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID45109193
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H14N2O3/c23-18-11-14-6-2-1-5-13(14)10-17(18)20(24)22-21-12-16-9-15-7-3-4-8-19(15)25-16/h1-12,23H,(H,22,24)/b21-12+
InChIKeySAAYQUFZMUBOCG-CIAFOILYSA-N
XLogP4.06
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 126003005
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide
CID 45109132
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3934800
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 137242181
3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
CID 118569920

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 45109193) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(N/N=C/c1cc2ccccc2o1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is SAAYQUFZMUBOCG-CIAFOILYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-18-11-14-6-2-1-5-13(14)10-17(18)20(24)22-21-12-16-9-15-7-3-4-8-19(15)25-16/h1-12,23H,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 45109193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).