N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide

C18H14N2O2 — CID 689876

IUPACN-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H14N2O2/c21-17-11-15-9-5-4-8-14(15)10-16(17)18(22)20-19-12-13-6-2-1-3-7-13/h1-12,21H,(H,20,22)
InChIKeyBQTYCKJHLIHXHX-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.31
Rot. Bonds3

About N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide

N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 689876) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
PubChem CID689876
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H14N2O2/c21-17-11-15-9-5-4-8-14(15)10-16(17)18(22)20-19-12-13-6-2-1-3-7-13/h1-12,21H,(H,20,22)
InChIKeyBQTYCKJHLIHXHX-UHFFFAOYSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4045679
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
3-hydroxy-N-[(4-prop-2-ynoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4664333
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide (CID 689876) is N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is BQTYCKJHLIHXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-11-15-9-5-4-8-14(15)10-16(17)18(22)20-19-12-13-6-2-1-3-7-13/h1-12,21H,(H,20,22).
What are the key properties of N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide?
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 689876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).