3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide

C19H19FN2O2 — CID 137119086

IUPAC3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide
SMILESCC=Cc1c(C)ccc(C(C)=NNC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C19H19FN2O2/c1-4-6-16-12(2)9-10-17(18(16)23)13(3)21-22-19(24)14-7-5-8-15(20)11-14/h4-11,23H,1-3H3,(H,22,24)
InChIKeyHRPQTPFMRBYLJV-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.03
Rot. Bonds4

About 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide

3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide (PubChem CID 137119086) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide
PubChem CID137119086
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide
SMILESCC=Cc1c(C)ccc(C(C)=NNC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C19H19FN2O2/c1-4-6-16-12(2)9-10-17(18(16)23)13(3)21-22-19(24)14-7-5-8-15(20)11-14/h4-11,23H,1-3H3,(H,22,24)
InChIKeyHRPQTPFMRBYLJV-UHFFFAOYSA-N
XLogP4.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.03
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

N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 9016019
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 136828048

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide (CID 137119086) is 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide is CC=Cc1c(C)ccc(C(C)=NNC(=O)c2cccc(F)c2)c1O.
What is the InChIKey of 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide?
The InChIKey is HRPQTPFMRBYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-4-6-16-12(2)9-10-17(18(16)23)13(3)21-22-19(24)14-7-5-8-15(20)11-14/h4-11,23H,1-3H3,(H,22,24).
What are the key properties of 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide?
3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide has a molecular weight of 326.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137119086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).