N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide

C18H19FN2O5 — CID 2117359

IUPACN'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H19FN2O5/c1-24-14-8-12(9-15(25-2)17(14)26-3)18(23)21-20-16(22)10-11-6-4-5-7-13(11)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWVTKQWQVWQLDFF-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.86
Rot. Bonds6

About N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide

N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 2117359) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID2117359
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC NameN'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H19FN2O5/c1-24-14-8-12(9-15(25-2)17(14)26-3)18(23)21-20-16(22)10-11-6-4-5-7-13(11)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWVTKQWQVWQLDFF-UHFFFAOYSA-N
XLogP1.86
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide (CID 2117359) is N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is WVTKQWQVWQLDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-24-14-8-12(9-15(25-2)17(14)26-3)18(23)21-20-16(22)10-11-6-4-5-7-13(11)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide?
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 362.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 2117359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).