N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C18H12F2N2O2 — CID 6736315

IUPACN-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc(F)cc(F)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12F2N2O2/c19-14-5-11(6-15(20)9-14)10-21-22-18(24)16-7-12-3-1-2-4-13(12)8-17(16)23/h1-10,23H,(H,22,24)
InChIKeyNZCALHBNBQMEGR-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.59
Rot. Bonds3

About N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 6736315) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID6736315
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC NameN-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc(F)cc(F)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12F2N2O2/c19-14-5-11(6-15(20)9-14)10-21-22-18(24)16-7-12-3-1-2-4-13(12)8-17(16)23/h1-10,23H,(H,22,24)
InChIKeyNZCALHBNBQMEGR-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-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329
N-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3537534
N-[(E)-(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135606510
3-hydroxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 50856860

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 6736315) is N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1cc(F)cc(F)c1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is NZCALHBNBQMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-14-5-11(6-15(20)9-14)10-21-22-18(24)16-7-12-3-1-2-4-13(12)8-17(16)23/h1-10,23H,(H,22,24).
What are the key properties of N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(3,5-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-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 6736315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).