4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide

C15H10Cl3FN2O3 — CID 7946113

IUPAC4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10Cl3FN2O3/c16-10-5-12(18)13(6-11(10)17)24-7-14(22)20-21-15(23)8-1-3-9(19)4-2-8/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyNNWONOKAVYCITP-UHFFFAOYSA-N
MW391.61 g/mol
LogP3.63
Rot. Bonds4

About 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide

4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide (PubChem CID 7946113) has the molecular formula C15H10Cl3FN2O3 and a molecular weight of 391.61 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
PubChem CID7946113
Molecular FormulaC15H10Cl3FN2O3
Molecular Weight391.61 g/mol
Exact Mass389.97
IUPAC Name4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10Cl3FN2O3/c16-10-5-12(18)13(6-11(10)17)24-7-14(22)20-21-15(23)8-1-3-9(19)4-2-8/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyNNWONOKAVYCITP-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.61
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 24684710
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide
CID 2571070
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-fluorobenzamide
CID 3365573
2-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 134095807
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide (CID 7946113) is 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide?
The InChIKey is NNWONOKAVYCITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2O3/c16-10-5-12(18)13(6-11(10)17)24-7-14(22)20-21-15(23)8-1-3-9(19)4-2-8/h1-6H,7H2,(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide?
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide has a molecular weight of 391.61 g/mol, XLogP of 3.63, 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-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7946113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).