N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide

C17H16F2N2O3 — CID 30483036

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O3/c1-10-5-11(2)7-13(6-10)24-9-16(22)20-21-17(23)12-3-4-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAVTGTXDJIVBVMG-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.42
Rot. Bonds4

About N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide (PubChem CID 30483036) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
PubChem CID30483036
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O3/c1-10-5-11(2)7-13(6-10)24-9-16(22)20-21-17(23)12-3-4-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAVTGTXDJIVBVMG-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.42
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-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853731
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
4-chloro-N-[3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 9470850
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 9322281
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315634

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide (CID 30483036) is N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide?
The InChIKey is AVTGTXDJIVBVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-5-11(2)7-13(6-10)24-9-16(22)20-21-17(23)12-3-4-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide has a molecular weight of 334.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide is sourced from PubChem (CID 30483036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).