3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide

C15H11Cl2FN2O3 — CID 7910735

IUPAC3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN2O3/c16-12-6-1-9(7-13(12)17)15(22)20-19-14(21)8-23-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyYKJYGDQVRHUVLC-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.97
Rot. Bonds4

About 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide

3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide (PubChem CID 7910735) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
PubChem CID7910735
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN2O3/c16-12-6-1-9(7-13(12)17)15(22)20-19-14(21)8-23-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyYKJYGDQVRHUVLC-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.97
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

5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
7-chloro-N'-[2-(4-fluorophenoxy)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9428453
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 24684710
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
The IUPAC name of 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide (CID 7910735) is 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
The InChIKey is YKJYGDQVRHUVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c16-12-6-1-9(7-13(12)17)15(22)20-19-14(21)8-23-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide has a molecular weight of 357.17 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7910735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).