N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C18H12F2N2O2 — CID 2590173

IUPACN-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(F)cc1F)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12F2N2O2/c19-14-6-5-13(16(20)9-14)10-21-22-18(24)15-7-11-3-1-2-4-12(11)8-17(15)23/h1-10,23H,(H,22,24)
InChIKeyOZCJTKOXPZNLHY-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.59
Rot. Bonds3

About N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 2590173) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID2590173
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC NameN-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(F)cc1F)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12F2N2O2/c19-14-6-5-13(16(20)9-14)10-21-22-18(24)15-7-11-3-1-2-4-12(11)8-17(15)23/h1-10,23H,(H,22,24)
InChIKeyOZCJTKOXPZNLHY-UHFFFAOYSA-N
XLogP3.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.59
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

N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
CID 118569920
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
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-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 2590173) is N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1ccc(F)cc1F)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is OZCJTKOXPZNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-14-6-5-13(16(20)9-14)10-21-22-18(24)15-7-11-3-1-2-4-12(11)8-17(15)23/h1-10,23H,(H,22,24).
What are the key properties of N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 326.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 2590173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).