2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C32H27Cl2N3O2 — CID 2410230

About 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 2410230) has the molecular formula C32H27Cl2N3O2 and a molecular weight of 556.49 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
• PubChem CID: 2410230
• Molecular Formula: C32H27Cl2N3O2
• Molecular Weight: 556.49 g/mol
• Exact Mass: 555.15
• IUPAC Name: 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
• SMILES: O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12
• InChI: InChI=1S/C32H27Cl2N3O2/c33-27-15-7-4-12-22(27)25(26-19-35-29-17-9-6-13-23(26)29)20-36-31(38)18-30(21-10-2-1-3-11-21)37-32(39)24-14-5-8-16-28(24)34/h1-17,19,25,30,35H,18,20H2,(H,36,38)(H,37,39)/t25-,30+/m1/s1
• InChIKey: MUUSVCXKTJDOIS-RNAHPLFWSA-N
• XLogP: 7.28
• TPSA: 73.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.49
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The IUPAC name of 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 2410230) is 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

What is the SMILES notation for 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The canonical SMILES for 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12.

What is the InChIKey of 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

The InChIKey is MUUSVCXKTJDOIS-RNAHPLFWSA-N. The full InChI is InChI=1S/C32H27Cl2N3O2/c33-27-15-7-4-12-22(27)25(26-19-35-29-17-9-6-13-23(26)29)20-36-31(38)18-30(21-10-2-1-3-11-21)37-32(39)24-14-5-8-16-28(24)34/h1-17,19,25,30,35H,18,20H2,(H,36,38)(H,37,39)/t25-,30+/m1/s1.

What are the key properties of 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?

2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 556.49 g/mol, XLogP of 7.28, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 2410230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).