3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide

C23H22Cl2N2O — CID 171981307

About 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 171981307) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide
• PubChem CID: 171981307
• Molecular Formula: C23H22Cl2N2O
• Molecular Weight: 413.35 g/mol
• Exact Mass: 412.11
• IUPAC Name: 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide
• SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)N/N=C(/C=C\c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H22Cl2N2O/c1-23(2)18(15-20(24)25)21(23)22(28)27-26-19(17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-15,18,21H,1-2H3,(H,27,28)/b14-13-,26-19-
• InChIKey: FTRFJIXKDFRCLN-UFFIDTFCSA-N
• XLogP: 5.81
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.35
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide?

The IUPAC name of 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide (CID 171981307) is 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide.

What is the SMILES notation for 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide?

The canonical SMILES for 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)N/N=C(/C=C\c1ccccc1)c1ccccc1.

What is the InChIKey of 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide?

The InChIKey is FTRFJIXKDFRCLN-UFFIDTFCSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-23(2)18(15-20(24)25)21(23)22(28)27-26-19(17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-15,18,21H,1-2H3,(H,27,28)/b14-13-,26-19-.

What are the key properties of 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide?

3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 413.35 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 171981307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).