1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide

C18H13Cl2N3O2 — CID 108983820

IUPAC1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-2-1-3-14(20)15(13)23-17(25)18(8-9-18)16(24)22-12-6-4-11(10-21)5-7-12/h1-7H,8-9H2,(H,22,24)(H,23,25)
InChIKeyJONYUAGSPBQNLX-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.22
Rot. Bonds4

About 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983820) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983820
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-2-1-3-14(20)15(13)23-17(25)18(8-9-18)16(24)22-12-6-4-11(10-21)5-7-12/h1-7H,8-9H2,(H,22,24)(H,23,25)
InChIKeyJONYUAGSPBQNLX-UHFFFAOYSA-N
XLogP4.22
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.22
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-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
1-N-(4-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983806
1-N'-(4-cyanophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970968
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N'-(4-cyanophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972843
1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312
1-N'-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975769
1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976029
1-N-(4-cyanophenyl)-1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983715
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983805
1-N'-(4-cyanophenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976395

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide (CID 108983820) is 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide is N#Cc1ccc(NC(=O)C2(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is JONYUAGSPBQNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-13-2-1-3-14(20)15(13)23-17(25)18(8-9-18)16(24)22-12-6-4-11(10-21)5-7-12/h1-7H,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 374.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).