N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide

C17H14F2N2O6 — CID 9401144

IUPACN'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O6/c1-24-13-6-9(3-5-12(13)27-17(18)19)15(22)20-21-16(23)10-2-4-11-14(7-10)26-8-25-11/h2-7,17H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyZQARUHOVIYGRTK-UHFFFAOYSA-N
MW380.30 g/mol
LogP2.10
Rot. Bonds5

About N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9401144) has the molecular formula C17H14F2N2O6 and a molecular weight of 380.30 g/mol. Its IUPAC name is N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9401144
Molecular FormulaC17H14F2N2O6
Molecular Weight380.30 g/mol
Exact Mass380.08
IUPAC NameN'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O6/c1-24-13-6-9(3-5-12(13)27-17(18)19)15(22)20-21-16(23)10-2-4-11-14(7-10)26-8-25-11/h2-7,17H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyZQARUHOVIYGRTK-UHFFFAOYSA-N
XLogP2.10
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26499038
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-propan-2-ylthiourea
CID 7978091
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18226804
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
1-tert-butyl-3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]thiourea
CID 9425633
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 94048936

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide (CID 9401144) is N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(F)F.
What is the InChIKey of N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is ZQARUHOVIYGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O6/c1-24-13-6-9(3-5-12(13)27-17(18)19)15(22)20-21-16(23)10-2-4-11-14(7-10)26-8-25-11/h2-7,17H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 380.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).