1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C25H29Cl4N3O2 — CID 70865941

About 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 70865941) has the molecular formula C25H29Cl4N3O2 and a molecular weight of 545.34 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 70865941
• Molecular Formula: C25H29Cl4N3O2
• Molecular Weight: 545.34 g/mol
• Exact Mass: 543.10
• IUPAC Name: 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
• SMILES: CN(C)CCCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C25H29Cl4N3O2/c1-31(2)11-4-12-32(3)23(33)22(13-16-5-6-17(26)14-20(16)28)30-24(34)25(9-10-25)19-8-7-18(27)15-21(19)29/h5-8,14-15,22H,4,9-13H2,1-3H3,(H,30,34)/t22-/m0/s1
• InChIKey: IEBDSDIKGVJHON-QFIPXVFZSA-N
• XLogP: 5.47
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.34
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 70865941) is 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is CN(C)CCCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1.

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

The InChIKey is IEBDSDIKGVJHON-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29Cl4N3O2/c1-31(2)11-4-12-32(3)23(33)22(13-16-5-6-17(26)14-20(16)28)30-24(34)25(9-10-25)19-8-7-18(27)15-21(19)29/h5-8,14-15,22H,4,9-13H2,1-3H3,(H,30,34)/t22-/m0/s1.

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

1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 545.34 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70865941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).