1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide

C18H16Cl2N2O3 — CID 108983092

IUPAC1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-12-7-5-11(6-8-12)21-16(23)18(9-10-18)17(24)22-14-4-2-3-13(19)15(14)20/h2-8H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyQVNQAFRGPAQTBO-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.36
Rot. Bonds5

About 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983092) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983092
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-12-7-5-11(6-8-12)21-16(23)18(9-10-18)17(24)22-14-4-2-3-13(19)15(14)20/h2-8H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyQVNQAFRGPAQTBO-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983179
1-N-(3-chloro-4-methylphenyl)-1-N'-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982818
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N'-(2-chlorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980864
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-N-(2,3-dichlorophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981367
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(2-chlorophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981773
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983097

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983092) is 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QVNQAFRGPAQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-25-12-7-5-11(6-8-12)21-16(23)18(9-10-18)17(24)22-14-4-2-3-13(19)15(14)20/h2-8H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 379.24 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).