3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide

C19H21FN2O4 — CID 9428782

IUPAC3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
SMILESCOc1cccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c1OC
InChIInChI=1S/C19H21FN2O4/c1-25-16-5-3-4-14(19(16)26-2)8-11-17(23)21-22-18(24)12-13-6-9-15(20)10-7-13/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZPOGKZGMNWTKBW-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.17
Rot. Bonds7

About 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide

3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide (PubChem CID 9428782) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
PubChem CID9428782
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
SMILESCOc1cccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c1OC
InChIInChI=1S/C19H21FN2O4/c1-25-16-5-3-4-14(19(16)26-2)8-11-17(23)21-22-18(24)12-13-6-9-15(20)10-7-13/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZPOGKZGMNWTKBW-UHFFFAOYSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
4-bromo-N'-[3-(2,3-dimethoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256838
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide (CID 9428782) is 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide is COc1cccc(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
The InChIKey is ZPOGKZGMNWTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-16-5-3-4-14(19(16)26-2)8-11-17(23)21-22-18(24)12-13-6-9-15(20)10-7-13/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide?
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide has a molecular weight of 360.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 9428782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).