N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

C24H25Cl4N3O2 — CID 68754688

About N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 68754688) has the molecular formula C24H25Cl4N3O2 and a molecular weight of 529.30 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 68754688
• Molecular Formula: C24H25Cl4N3O2
• Molecular Weight: 529.30 g/mol
• Exact Mass: 527.07
• IUPAC Name: N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
• SMILES: NC(=O)[C@H](Cc1ccc(Cl)cc1Cl)N(C[C@@H]1CCNC1)C(=O)C1(c2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C24H25Cl4N3O2/c25-16-2-1-15(19(27)10-16)9-21(22(29)32)31(13-14-5-8-30-12-14)23(33)24(6-7-24)18-4-3-17(26)11-20(18)28/h1-4,10-11,14,21,30H,5-9,12-13H2,(H2,29,32)/t14-,21+/m1/s1
• InChIKey: XIMZZQXZOCZGJJ-SZNDQCEHSA-N
• XLogP: 4.87
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.30
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 68754688) is N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is NC(=O)[C@H](Cc1ccc(Cl)cc1Cl)N(C[C@@H]1CCNC1)C(=O)C1(c2ccc(Cl)cc2Cl)CC1.

What is the InChIKey of N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?

The InChIKey is XIMZZQXZOCZGJJ-SZNDQCEHSA-N. The full InChI is InChI=1S/C24H25Cl4N3O2/c25-16-2-1-15(19(27)10-16)9-21(22(29)32)31(13-14-5-8-30-12-14)23(33)24(6-7-24)18-4-3-17(26)11-20(18)28/h1-4,10-11,14,21,30H,5-9,12-13H2,(H2,29,32)/t14-,21+/m1/s1.

What are the key properties of N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?

N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 529.30 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68754688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).