4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide

C17H17FN2O3 — CID 9038094

IUPAC4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-11-3-8-15(23-2)13(9-11)10-16(21)19-20-17(22)12-4-6-14(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDZMZTVFXIBXERD-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.15
Rot. Bonds4

About 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide

4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide (PubChem CID 9038094) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
PubChem CID9038094
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-11-3-8-15(23-2)13(9-11)10-16(21)19-20-17(22)12-4-6-14(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDZMZTVFXIBXERD-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.15
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

4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide (CID 9038094) is 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide is COc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
The InChIKey is DZMZTVFXIBXERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-3-8-15(23-2)13(9-11)10-16(21)19-20-17(22)12-4-6-14(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide has a molecular weight of 316.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 9038094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).