N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide

C22H17FN2O5 — CID 34257431

IUPACN'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H17FN2O5/c23-17-7-4-14(5-8-17)12-28-18-3-1-2-15(10-18)21(26)24-25-22(27)16-6-9-19-20(11-16)30-13-29-19/h1-11H,12-13H2,(H,24,26)(H,25,27)
InChIKeyZLYKPKADTXGUNR-UHFFFAOYSA-N
MW408.39 g/mol
LogP3.21
Rot. Bonds5

About N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 34257431) has the molecular formula C22H17FN2O5 and a molecular weight of 408.39 g/mol. Its IUPAC name is N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID34257431
Molecular FormulaC22H17FN2O5
Molecular Weight408.39 g/mol
Exact Mass408.11
IUPAC NameN'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H17FN2O5/c23-17-7-4-14(5-8-17)12-28-18-3-1-2-15(10-18)21(26)24-25-22(27)16-6-9-19-20(11-16)30-13-29-19/h1-11H,12-13H2,(H,24,26)(H,25,27)
InChIKeyZLYKPKADTXGUNR-UHFFFAOYSA-N
XLogP3.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.21
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

N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 27019353
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7625798
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide (CID 34257431) is N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide is O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is ZLYKPKADTXGUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5/c23-17-7-4-14(5-8-17)12-28-18-3-1-2-15(10-18)21(26)24-25-22(27)16-6-9-19-20(11-16)30-13-29-19/h1-11H,12-13H2,(H,24,26)(H,25,27).
What are the key properties of N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 408.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(4-fluorophenyl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 34257431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).