1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide

C15H18Cl2N2O2 — CID 108971543

IUPAC1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-13(20)15(7-8-15)14(21)19-11-6-4-5-10(16)12(11)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDUFWRKOZABDXET-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.63
Rot. Bonds5

About 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971543) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971543
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-13(20)15(7-8-15)14(21)19-11-6-4-5-10(16)12(11)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDUFWRKOZABDXET-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971473
1-N-(3-chloro-4-methylphenyl)-1-N'-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982818
1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983179
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
1-N-(2,3-dichlorophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981367
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971482
1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983092
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974716
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068
N-(2,3-dichlorophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980221
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975622
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide (CID 108971543) is 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide is CCC(C)NC(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DUFWRKOZABDXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-13(20)15(7-8-15)14(21)19-11-6-4-5-10(16)12(11)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).