1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide

C18H15N3O2 — CID 108980627

IUPAC1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H15N3O2/c19-12-13-6-4-5-9-15(13)21-17(23)18(10-11-18)16(22)20-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,22)(H,21,23)
InChIKeyOTFWVZQSWKHRAV-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.92
Rot. Bonds4

About 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide

1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108980627) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108980627
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H15N3O2/c19-12-13-6-4-5-9-15(13)21-17(23)18(10-11-18)16(22)20-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,22)(H,21,23)
InChIKeyOTFWVZQSWKHRAV-UHFFFAOYSA-N
XLogP2.92
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.92
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-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981680
1-N'-(2-cyanophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983713
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980226
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980631
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide (CID 108980627) is 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide is N#Cc1ccccc1NC(=O)C1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is OTFWVZQSWKHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-12-13-6-4-5-9-15(13)21-17(23)18(10-11-18)16(22)20-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide?
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).