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

C24H30Cl2N4O2 — CID 4571330

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

2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4571330) has the molecular formula C24H30Cl2N4O2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4571330
• Molecular Formula: C24H30Cl2N4O2
• Molecular Weight: 477.44 g/mol
• Exact Mass: 476.17
• IUPAC Name: 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: Cn1cccc1CN(C(=O)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1)C1CC1
• InChI: InChI=1S/C24H30Cl2N4O2/c1-28-13-5-8-20(28)15-29(19-10-11-19)23(31)16-30(18-6-3-2-4-7-18)24(32)27-17-9-12-21(25)22(26)14-17/h5,8-9,12-14,18-19H,2-4,6-7,10-11,15-16H2,1H3,(H,27,32)
• InChIKey: RXZXTACHHXCFHS-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.44
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4571330) is 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CN(C(=O)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1)C1CC1.

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

The InChIKey is RXZXTACHHXCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O2/c1-28-13-5-8-20(28)15-29(19-10-11-19)23(31)16-30(18-6-3-2-4-7-18)24(32)27-17-9-12-21(25)22(26)14-17/h5,8-9,12-14,18-19H,2-4,6-7,10-11,15-16H2,1H3,(H,27,32).

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

2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 477.44 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4571330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).