N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide

C25H20N2O2 — CID 141213886

IUPACN-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=C(Cc1ccccc1)c1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H20N2O2/c28-24-17-21-14-8-7-13-20(21)16-22(24)25(29)27-26-23(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,16-17,28H,15H2,(H,27,29)
InChIKeyYROBZYISTYELGI-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.92
Rot. Bonds5

About N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide

N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 141213886) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide
PubChem CID141213886
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC NameN-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=C(Cc1ccccc1)c1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H20N2O2/c28-24-17-21-14-8-7-13-20(21)16-22(24)25(29)27-26-23(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,16-17,28H,15H2,(H,27,29)
InChIKeyYROBZYISTYELGI-UHFFFAOYSA-N
XLogP4.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.92
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

(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
CID 7789595
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 6109947
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
3-hydroxy-N-(1-pyridin-3-ylethylideneamino)naphthalene-2-carboxamide
CID 771599
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
N'-[2-(4-fluorophenyl)acetyl]-3-hydroxynaphthalene-2-carbohydrazide
CID 31725615
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide (CID 141213886) is N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide is O=C(NN=C(Cc1ccccc1)c1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is YROBZYISTYELGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-24-17-21-14-8-7-13-20(21)16-22(24)25(29)27-26-23(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,16-17,28H,15H2,(H,27,29).
What are the key properties of N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide?
N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 141213886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).