4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide

C17H15F3N2O4S — CID 9418020

IUPAC4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CSc2ccccc2F)ccc1OC(F)F
InChIInChI=1S/C17H15F3N2O4S/c1-25-13-8-10(6-7-12(13)26-17(19)20)16(24)22-21-15(23)9-27-14-5-3-2-4-11(14)18/h2-8,17H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyXUICCBDURKDJQQ-UHFFFAOYSA-N
MW400.38 g/mol
LogP2.99
Rot. Bonds7

About 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide

4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide (PubChem CID 9418020) has the molecular formula C17H15F3N2O4S and a molecular weight of 400.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
PubChem CID9418020
Molecular FormulaC17H15F3N2O4S
Molecular Weight400.38 g/mol
Exact Mass400.07
IUPAC Name4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CSc2ccccc2F)ccc1OC(F)F
InChIInChI=1S/C17H15F3N2O4S/c1-25-13-8-10(6-7-12(13)26-17(19)20)16(24)22-21-15(23)9-27-14-5-3-2-4-11(14)18/h2-8,17H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyXUICCBDURKDJQQ-UHFFFAOYSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
CID 9418010
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide (CID 9418020) is 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide is COc1cc(C(=O)NNC(=O)CSc2ccccc2F)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
The InChIKey is XUICCBDURKDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4S/c1-25-13-8-10(6-7-12(13)26-17(19)20)16(24)22-21-15(23)9-27-14-5-3-2-4-11(14)18/h2-8,17H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide?
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide has a molecular weight of 400.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 9418020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).