2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

C16H14ClFN2O3 — CID 51146468

IUPAC2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c1-10-3-2-4-12(7-10)23-9-15(21)19-20-16(22)13-6-5-11(18)8-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyFQIUNGFLEFXTSD-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (PubChem CID 51146468) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
PubChem CID51146468
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c1-10-3-2-4-12(7-10)23-9-15(21)19-20-16(22)13-6-5-11(18)8-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyFQIUNGFLEFXTSD-UHFFFAOYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide 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-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
1-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 968340
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 19167991
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
4-chloro-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 3971175
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (CID 51146468) is 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is FQIUNGFLEFXTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-10-3-2-4-12(7-10)23-9-15(21)19-20-16(22)13-6-5-11(18)8-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 336.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 51146468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).