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

C19H18Cl2N2O3 — CID 108983179

IUPAC1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-2-26-13-8-6-12(7-9-13)22-17(24)19(10-11-19)18(25)23-15-5-3-4-14(20)16(15)21/h3-9H,2,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLFVNVYSTRXHBGF-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.75
Rot. Bonds6

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

1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983179) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983179
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-2-26-13-8-6-12(7-9-13)22-17(24)19(10-11-19)18(25)23-15-5-3-4-14(20)16(15)21/h3-9H,2,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLFVNVYSTRXHBGF-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.75
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-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983092
1-N-(2,3-dichlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143544
1-N-(3-chloro-4-methylphenyl)-1-N'-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982818
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
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
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
1-N'-(3,4-difluorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983187
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-N'-(2-chlorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980864
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982890

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983179) is 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide is CCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is LFVNVYSTRXHBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-2-26-13-8-6-12(7-9-13)22-17(24)19(10-11-19)18(25)23-15-5-3-4-14(20)16(15)21/h3-9H,2,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 393.27 g/mol, XLogP of 4.75, 6 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-ethoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).