1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C24H27Cl4N3O2 — CID 75229526

About 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 75229526) has the molecular formula C24H27Cl4N3O2 and a molecular weight of 531.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 75229526
• Molecular Formula: C24H27Cl4N3O2
• Molecular Weight: 531.31 g/mol
• Exact Mass: 529.09
• IUPAC Name: 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
• SMILES: CC(CN(C)C)NC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C24H27Cl4N3O2/c1-14(13-31(2)3)29-22(32)21(10-15-4-5-16(25)11-19(15)27)30-23(33)24(8-9-24)18-7-6-17(26)12-20(18)28/h4-7,11-12,14,21H,8-10,13H2,1-3H3,(H,29,32)(H,30,33)
• InChIKey: GRPYEEAEMRBWOB-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.31
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 75229526) is 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is CC(CN(C)C)NC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1.

What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

The InChIKey is GRPYEEAEMRBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl4N3O2/c1-14(13-31(2)3)29-22(32)21(10-15-4-5-16(25)11-19(15)27)30-23(33)24(8-9-24)18-7-6-17(26)12-20(18)28/h4-7,11-12,14,21H,8-10,13H2,1-3H3,(H,29,32)(H,30,33).

What are the key properties of 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?

1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 531.31 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75229526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).