4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide

C17H15F3N2O4 — CID 9402051

IUPAC4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OC(F)F
InChIInChI=1S/C17H15F3N2O4/c1-2-25-14-9-10(7-8-13(14)26-17(19)20)15(23)21-22-16(24)11-5-3-4-6-12(11)18/h3-9,17H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyKTCCMSWIZOXEEX-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.90
Rot. Bonds6

About 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide

4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide (PubChem CID 9402051) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
PubChem CID9402051
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OC(F)F
InChIInChI=1S/C17H15F3N2O4/c1-2-25-14-9-10(7-8-13(14)26-17(19)20)15(23)21-22-16(24)11-5-3-4-6-12(11)18/h3-9,17H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyKTCCMSWIZOXEEX-UHFFFAOYSA-N
XLogP2.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.90
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)-3-ethoxy-N-phenylbenzamide
CID 3461612
N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9470195
N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9156060
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42910219
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
1-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477836
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24553274

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide (CID 9402051) is 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide?
The InChIKey is KTCCMSWIZOXEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-2-25-14-9-10(7-8-13(14)26-17(19)20)15(23)21-22-16(24)11-5-3-4-6-12(11)18/h3-9,17H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide?
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide has a molecular weight of 368.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide is sourced from PubChem (CID 9402051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).