3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide

C23H28Cl2N2O3 — CID 19243749

About 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 19243749) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide
• PubChem CID: 19243749
• Molecular Formula: C23H28Cl2N2O3
• Molecular Weight: 451.39 g/mol
• Exact Mass: 450.15
• IUPAC Name: 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide
• SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1
• InChI: InChI=1S/C23H28Cl2N2O3/c1-23(2)18(13-19(24)25)21(23)22(28)27(14-16-7-6-12-29-16)15-17-8-9-20(30-17)26-10-4-3-5-11-26/h6-9,12-13,18,21H,3-5,10-11,14-15H2,1-2H3
• InChIKey: KNEDBKZEPWPLEX-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 49.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.39
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide?

The IUPAC name of 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide (CID 19243749) is 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1.

What is the InChIKey of 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide?

The InChIKey is KNEDBKZEPWPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-23(2)18(13-19(24)25)21(23)22(28)27(14-16-7-6-12-29-16)15-17-8-9-20(30-17)26-10-4-3-5-11-26/h6-9,12-13,18,21H,3-5,10-11,14-15H2,1-2H3.

What are the key properties of 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide?

3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19243749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).