N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide

C14H11FN2O2 — CID 135937131

IUPACN-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)cccc1F)c1ccccc1
InChIInChI=1S/C14H11FN2O2/c15-12-7-4-8-13(18)11(12)9-16-17-14(19)10-5-2-1-3-6-10/h1-9,18H,(H,17,19)/b16-9+
InChIKeyQZBOAKLBYAVBBF-CXUHLZMHSA-N
MW258.25 g/mol
LogP2.30
Rot. Bonds3

About N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide

N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135937131) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135937131
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)cccc1F)c1ccccc1
InChIInChI=1S/C14H11FN2O2/c15-12-7-4-8-13(18)11(12)9-16-17-14(19)10-5-2-1-3-6-10/h1-9,18H,(H,17,19)/b16-9+
InChIKeyQZBOAKLBYAVBBF-CXUHLZMHSA-N
XLogP2.30
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.30
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

1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215678
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 5131295
N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 138043810
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide (CID 135937131) is N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1c(O)cccc1F)c1ccccc1.
What is the InChIKey of N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is QZBOAKLBYAVBBF-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-7-4-8-13(18)11(12)9-16-17-14(19)10-5-2-1-3-6-10/h1-9,18H,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide?
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 258.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135937131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).