N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide

C15H14Cl2N2O3 — CID 46652829

IUPACN'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2(C)CC2(Cl)Cl)oc2ccccc12
InChIInChI=1S/C15H14Cl2N2O3/c1-8-9-5-3-4-6-10(9)22-11(8)12(20)18-19-13(21)14(2)7-15(14,16)17/h3-6H,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySDOMVUNSBJLMKJ-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.09
Rot. Bonds2

About N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide

N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 46652829) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID46652829
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC NameN'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2(C)CC2(Cl)Cl)oc2ccccc12
InChIInChI=1S/C15H14Cl2N2O3/c1-8-9-5-3-4-6-10(9)22-11(8)12(20)18-19-13(21)14(2)7-15(14,16)17/h3-6H,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySDOMVUNSBJLMKJ-UHFFFAOYSA-N
XLogP3.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide (CID 46652829) is N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)C2(C)CC2(Cl)Cl)oc2ccccc12.
What is the InChIKey of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is SDOMVUNSBJLMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-8-9-5-3-4-6-10(9)22-11(8)12(20)18-19-13(21)14(2)7-15(14,16)17/h3-6H,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 341.19 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 46652829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).