4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide

C17H17FN2O3 — CID 137150543

IUPAC4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C17H17FN2O3/c1-11(2)23-15-8-5-13(16(21)9-15)10-19-20-17(22)12-3-6-14(18)7-4-12/h3-11,21H,1-2H3,(H,20,22)/b19-10-
InChIKeyFHYBQERTQVCNJR-GRSHGNNSSA-N
MW316.33 g/mol
LogP3.08
Rot. Bonds5

About 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide

4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 137150543) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID137150543
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C17H17FN2O3/c1-11(2)23-15-8-5-13(16(21)9-15)10-19-20-17(22)12-3-6-14(18)7-4-12/h3-11,21H,1-2H3,(H,20,22)/b19-10-
InChIKeyFHYBQERTQVCNJR-GRSHGNNSSA-N
XLogP3.08
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-4-iodobenzamide
CID 137075500
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 137022225
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135613710
N-[(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3913272
4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215678

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 137150543) is 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide is CC(C)Oc1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is FHYBQERTQVCNJR-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(2)23-15-8-5-13(16(21)9-15)10-19-20-17(22)12-3-6-14(18)7-4-12/h3-11,21H,1-2H3,(H,20,22)/b19-10-.
What are the key properties of 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 316.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137150543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).