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

C18H13FN2O2 — CID 135837487

IUPAC3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(23)21-20-11-16-15-7-2-1-4-12(15)8-9-17(16)22/h1-11,22H,(H,21,23)/b20-11-
InChIKeyKJOAGKHCMUAYFX-JAIQZWGSSA-N
MW308.31 g/mol
LogP3.45
Rot. Bonds3

About 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135837487) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135837487
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(23)21-20-11-16-15-7-2-1-4-12(15)8-9-17(16)22/h1-11,22H,(H,21,23)/b20-11-
InChIKeyKJOAGKHCMUAYFX-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': '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-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 136781294

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135837487) is 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is KJOAGKHCMUAYFX-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(23)21-20-11-16-15-7-2-1-4-12(15)8-9-17(16)22/h1-11,22H,(H,21,23)/b20-11-.
What are the key properties of 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-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 3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135837487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).