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

C19H20F2N2O4 — CID 43004004

IUPAC4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C19H20F2N2O4/c1-11-5-4-6-16(12(11)2)26-13(3)17(24)22-23-18(25)14-7-9-15(10-8-14)27-19(20)21/h4-10,13,19H,1-3H3,(H,22,24)(H,23,25)
InChIKeyLVCZQIKJDZTSRR-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.13
Rot. Bonds6

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

4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide (PubChem CID 43004004) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
PubChem CID43004004
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C19H20F2N2O4/c1-11-5-4-6-16(12(11)2)26-13(3)17(24)22-23-18(25)14-7-9-15(10-8-14)27-19(20)21/h4-10,13,19H,1-3H3,(H,22,24)(H,23,25)
InChIKeyLVCZQIKJDZTSRR-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.13
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-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
N-[(2S)-1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55943153
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide (CID 43004004) is 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1C.
What is the InChIKey of 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
The InChIKey is LVCZQIKJDZTSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-11-5-4-6-16(12(11)2)26-13(3)17(24)22-23-18(25)14-7-9-15(10-8-14)27-19(20)21/h4-10,13,19H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide?
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide has a molecular weight of 378.38 g/mol, XLogP of 3.13, 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-(2,3-dimethylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 43004004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).