4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide

C18H13FN2O2 — CID 4293070

IUPAC4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc2ccccc2c1O)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2/c19-15-9-7-13(8-10-15)18(23)21-20-11-14-6-5-12-3-1-2-4-16(12)17(14)22/h1-11,22H,(H,21,23)
InChIKeyDKNZXFQDADCLTN-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.45
Rot. Bonds3

About 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide

4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide (PubChem CID 4293070) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
PubChem CID4293070
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc2ccccc2c1O)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2/c19-15-9-7-13(8-10-15)18(23)21-20-11-14-6-5-12-3-1-2-4-16(12)17(14)22/h1-11,22H,(H,21,23)
InChIKeyDKNZXFQDADCLTN-UHFFFAOYSA-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': 'hzone_phenol_A(479)', '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

3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 141213990
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6260271
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide (CID 4293070) is 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc2ccccc2c1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The InChIKey is DKNZXFQDADCLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-15-9-7-13(8-10-15)18(23)21-20-11-14-6-5-12-3-1-2-4-16(12)17(14)22/h1-11,22H,(H,21,23).
What are the key properties of 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide 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 4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4293070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).