N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide

C15H12ClFN2O3 — CID 9340581

IUPACN'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
SMILESO=C(COc1cccc(Cl)c1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O3/c16-11-2-1-3-13(8-11)22-9-14(20)18-19-15(21)10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyGBGBXMKMMQNOQS-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.32
Rot. Bonds4

About N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide

N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide (PubChem CID 9340581) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
PubChem CID9340581
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC NameN'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
SMILESO=C(COc1cccc(Cl)c1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O3/c16-11-2-1-3-13(8-11)22-9-14(20)18-19-15(21)10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyGBGBXMKMMQNOQS-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.32
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

4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 24684710
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
5,6-dichloro-N'-[2-(4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 24634545
2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51146468
(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide (CID 9340581) is N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide is O=C(COc1cccc(Cl)c1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide?
The InChIKey is GBGBXMKMMQNOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-11-2-1-3-13(8-11)22-9-14(20)18-19-15(21)10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide?
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide has a molecular weight of 322.72 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 9340581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).