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

C18H18F2N2O4 — CID 26846175

IUPAC4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)F)cc2)cc1C
InChIInChI=1S/C18H18F2N2O4/c1-11-3-6-15(9-12(11)2)25-10-16(23)21-22-17(24)13-4-7-14(8-5-13)26-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMATVGQOOJQQOSB-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.74
Rot. Bonds6

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

4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 26846175) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID26846175
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)F)cc2)cc1C
InChIInChI=1S/C18H18F2N2O4/c1-11-3-6-15(9-12(11)2)25-10-16(23)21-22-17(24)13-4-7-14(8-5-13)26-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMATVGQOOJQQOSB-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

3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846150
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
4-tert-butyl-N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55944327
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 26846171
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide
CID 55350825
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide (CID 26846175) is 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)F)cc2)cc1C.
What is the InChIKey of 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is MATVGQOOJQQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-11-3-6-15(9-12(11)2)25-10-16(23)21-22-17(24)13-4-7-14(8-5-13)26-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide?
4-(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 4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26846175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).