2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide

C17H16ClFN2O3 — CID 27569390

IUPAC2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C17H16ClFN2O3/c1-10-3-5-13(7-11(10)2)24-9-16(22)20-21-17(23)14-6-4-12(19)8-15(14)18/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRFIRADFOQMYSIL-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide

2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide (PubChem CID 27569390) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
PubChem CID27569390
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C17H16ClFN2O3/c1-10-3-5-13(7-11(10)2)24-9-16(22)20-21-17(23)14-6-4-12(19)8-15(14)18/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRFIRADFOQMYSIL-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.94
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-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51146468
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589708
4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 55676601
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide (CID 27569390) is 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2Cl)cc1C.
What is the InChIKey of 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide?
The InChIKey is RFIRADFOQMYSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-10-3-5-13(7-11(10)2)24-9-16(22)20-21-17(23)14-6-4-12(19)8-15(14)18/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide?
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide has a molecular weight of 350.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 27569390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).