3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide

C18H18F2N2O4 — CID 26846150

IUPAC3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C18H18F2N2O4/c1-11-6-7-14(8-12(11)2)25-10-16(23)21-22-17(24)13-4-3-5-15(9-13)26-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQDOMYRNIYVIXOE-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.74
Rot. Bonds6

About 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide

3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 26846150) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID26846150
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C18H18F2N2O4/c1-11-6-7-14(8-12(11)2)25-10-16(23)21-22-17(24)13-4-3-5-15(9-13)26-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQDOMYRNIYVIXOE-UHFFFAOYSA-N
XLogP2.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
2-(3-acetylphenoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 78808116
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide (CID 26846150) is 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1C.
What is the InChIKey of 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is QDOMYRNIYVIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-11-6-7-14(8-12(11)2)25-10-16(23)21-22-17(24)13-4-3-5-15(9-13)26-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 364.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26846150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).