7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide

C15H13ClN2O3 — CID 9480093

IUPAC7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
SMILESCN(NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c1-18(11-5-3-2-4-6-11)17-15(19)10-7-12(16)14-13(8-10)20-9-21-14/h2-8H,9H2,1H3,(H,17,19)
InChIKeyYRRSHBNMSOODMH-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.85
Rot. Bonds3

About 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide

7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9480093) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound Name7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
PubChem CID9480093
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
SMILESCN(NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c1-18(11-5-3-2-4-6-11)17-15(19)10-7-12(16)14-13(8-10)20-9-21-14/h2-8H,9H2,1H3,(H,17,19)
InChIKeyYRRSHBNMSOODMH-UHFFFAOYSA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51265230
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
7-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 46455660
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162
7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 51184964
[2-(N-ethylanilino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 40767233
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 9060769
7-chloro-N-[2-(ethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9224824
7-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115884380
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloro-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119575688

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide (CID 9480093) is 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide is CN(NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is YRRSHBNMSOODMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-18(11-5-3-2-4-6-11)17-15(19)10-7-12(16)14-13(8-10)20-9-21-14/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide?
7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 304.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9480093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).