N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide

C19H19FN2O2 — CID 2415467

IUPACN'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide
SMILESCC(NNC(=O)c1ccccc1OCc1ccc(F)cc1)=C1CC1
InChIInChI=1S/C19H19FN2O2/c1-13(15-8-9-15)21-22-19(23)17-4-2-3-5-18(17)24-12-14-6-10-16(20)11-7-14/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
InChIKeyPDTIGXFPJHYEIK-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.71
Rot. Bonds6

About N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide

N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide (PubChem CID 2415467) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide
PubChem CID2415467
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide
SMILESCC(NNC(=O)c1ccccc1OCc1ccc(F)cc1)=C1CC1
InChIInChI=1S/C19H19FN2O2/c1-13(15-8-9-15)21-22-19(23)17-4-2-3-5-18(17)24-12-14-6-10-16(20)11-7-14/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23)
InChIKeyPDTIGXFPJHYEIK-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
N-(2-amino-2-methylpropyl)-2-[(4-fluorophenyl)methoxy]benzamide;hydrochloride
CID 119626985
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5237889
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-[(4-fluorophenyl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120833129
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450691
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 16625912
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide?
The IUPAC name of N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide (CID 2415467) is N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide?
The canonical SMILES for N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide is CC(NNC(=O)c1ccccc1OCc1ccc(F)cc1)=C1CC1.
What is the InChIKey of N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide?
The InChIKey is PDTIGXFPJHYEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(15-8-9-15)21-22-19(23)17-4-2-3-5-18(17)24-12-14-6-10-16(20)11-7-14/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,23).
What are the key properties of N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide?
N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide has a molecular weight of 326.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 2415467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).