N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide

C15H15F2N3O4 — CID 78813477

IUPACN'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccn2C)c1OC(F)F
InChIInChI=1S/C15H15F2N3O4/c1-20-8-4-6-10(20)14(22)19-18-13(21)9-5-3-7-11(23-2)12(9)24-15(16)17/h3-8,15H,1-2H3,(H,18,21)(H,19,22)
InChIKeyZNITZOZHCJEDJS-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.71
Rot. Bonds5

About N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide

N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 78813477) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID78813477
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC NameN'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccn2C)c1OC(F)F
InChIInChI=1S/C15H15F2N3O4/c1-20-8-4-6-10(20)14(22)19-18-13(21)9-5-3-7-11(23-2)12(9)24-15(16)17/h3-8,15H,1-2H3,(H,18,21)(H,19,22)
InChIKeyZNITZOZHCJEDJS-UHFFFAOYSA-N
XLogP1.71
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.71
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

2-(difluoromethoxy)-3-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 55333264
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
CID 51154491
2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 51158639

Frequently Asked Questions

What is the IUPAC name of N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide (CID 78813477) is N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide is COc1cccc(C(=O)NNC(=O)c2cccn2C)c1OC(F)F.
What is the InChIKey of N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is ZNITZOZHCJEDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-20-8-4-6-10(20)14(22)19-18-13(21)9-5-3-7-11(23-2)12(9)24-15(16)17/h3-8,15H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 339.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 78813477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).