1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

C15H18Cl2N2O3 — CID 109133253

IUPAC1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c1-22-7-3-6-18-14(20)9-8-10(9)15(21)19-13-11(16)4-2-5-12(13)17/h2,4-5,9-10H,3,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyVEZQXIMJKCTUML-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.72
Rot. Bonds7

About 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133253) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133253
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c1-22-7-3-6-18-14(20)9-8-10(9)15(21)19-13-11(16)4-2-5-12(13)17/h2,4-5,9-10H,3,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyVEZQXIMJKCTUML-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
2-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133177
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
1-N-(2,6-dichlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131584
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131195
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxypropyl)acetamide
CID 78827820
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (CID 109133253) is 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is COCCCNC(=O)C1CC1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VEZQXIMJKCTUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-22-7-3-6-18-14(20)9-8-10(9)15(21)19-13-11(16)4-2-5-12(13)17/h2,4-5,9-10H,3,6-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 345.23 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).