N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide

C18H13FN2O2 — CID 6019016

IUPACN-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C\c1cccc(F)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-4-12(10-14)11-20-21-18(23)16-9-8-13-5-1-2-7-15(13)17(16)22/h1-11,22H,(H,21,23)/b20-11-
InChIKeyXMWKWJJNAXWXPI-JAIQZWGSSA-N
MW308.31 g/mol
LogP3.45
Rot. Bonds3

About N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide

N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 6019016) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
PubChem CID6019016
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC NameN-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C\c1cccc(F)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-4-12(10-14)11-20-21-18(23)16-9-8-13-5-1-2-7-15(13)17(16)22/h1-11,22H,(H,21,23)/b20-11-
InChIKeyXMWKWJJNAXWXPI-JAIQZWGSSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6260271
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
1-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]naphthalene-2-carboxamide
CID 5412473
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
1-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 136742494
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 45055016
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4670747

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide (CID 6019016) is N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide is O=C(N/N=C\c1cccc(F)c1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is XMWKWJJNAXWXPI-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-6-3-4-12(10-14)11-20-21-18(23)16-9-8-13-5-1-2-7-15(13)17(16)22/h1-11,22H,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 6019016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).