2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C23H24Cl2N4O3 — CID 3935358

About 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3935358) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 3935358
• Molecular Formula: C23H24Cl2N4O3
• Molecular Weight: 475.38 g/mol
• Exact Mass: 474.12
• IUPAC Name: 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1
• InChI: InChI=1S/C23H24Cl2N4O3/c1-27-10-2-4-18(27)13-28(14-19-5-3-11-32-19)22(30)15-29(17-7-8-17)23(31)26-16-6-9-20(24)21(25)12-16/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,26,31)
• InChIKey: FYWCLBXFVOZUAF-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.38
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3935358) is 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1.

What is the InChIKey of 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is FYWCLBXFVOZUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c1-27-10-2-4-18(27)13-28(14-19-5-3-11-32-19)22(30)15-29(17-7-8-17)23(31)26-16-6-9-20(24)21(25)12-16/h2-6,9-12,17H,7-8,13-15H2,1H3,(H,26,31).

What are the key properties of 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 475.38 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3935358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).