N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C25H19FN2O3 — CID 4675447

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2F)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H19FN2O3/c26-23-8-4-3-7-20(23)16-31-21-11-9-17(10-12-21)15-27-28-25(30)22-13-18-5-1-2-6-19(18)14-24(22)29/h1-15,29H,16H2,(H,28,30)
InChIKeyYWLZSDLYSOURFT-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.03
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 4675447) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID4675447
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2F)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H19FN2O3/c26-23-8-4-3-7-20(23)16-31-21-11-9-17(10-12-21)15-27-28-25(30)22-13-18-5-1-2-6-19(18)14-24(22)29/h1-15,29H,16H2,(H,28,30)
InChIKeyYWLZSDLYSOURFT-UHFFFAOYSA-N
XLogP5.03
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.03
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-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3926735
N-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3537534
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-[(4-prop-2-ynoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4664333
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657831
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6902774
tert-butyl 2-[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3791292
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 4675447) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1ccc(OCc2ccccc2F)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is YWLZSDLYSOURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3/c26-23-8-4-3-7-20(23)16-31-21-11-9-17(10-12-21)15-27-28-25(30)22-13-18-5-1-2-6-19(18)14-24(22)29/h1-15,29H,16H2,(H,28,30).
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 4675447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).