(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide

C27H26Cl2N2O — CID 93123779

About (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide

(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 93123779) has the molecular formula C27H26Cl2N2O and a molecular weight of 465.42 g/mol. Its IUPAC name is (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

• Compound Name: (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
• PubChem CID: 93123779
• Molecular Formula: C27H26Cl2N2O
• Molecular Weight: 465.42 g/mol
• Exact Mass: 464.14
• IUPAC Name: (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
• SMILES: CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3ccc(Cl)c(Cl)c3)c[nH]c12
• InChI: InChI=1S/C27H26Cl2N2O/c1-3-18-10-7-11-21-23(16-30-27(18)21)22(20-12-13-24(28)25(29)14-20)15-26(32)31-17(2)19-8-5-4-6-9-19/h4-14,16-17,22,30H,3,15H2,1-2H3,(H,31,32)/t17-,22+/m1/s1
• InChIKey: NDNQBZLXIMDRIS-VGSWGCGISA-N
• XLogP: 7.44
• TPSA: 44.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.42
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?

The IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide (CID 93123779) is (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide.

What is the SMILES notation for (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?

The canonical SMILES for (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide is CCc1cccc2c([C@@H](CC(=O)N[C@H](C)c3ccccc3)c3ccc(Cl)c(Cl)c3)c[nH]c12.

What is the InChIKey of (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?

The InChIKey is NDNQBZLXIMDRIS-VGSWGCGISA-N. The full InChI is InChI=1S/C27H26Cl2N2O/c1-3-18-10-7-11-21-23(16-30-27(18)21)22(20-12-13-24(28)25(29)14-20)15-26(32)31-17(2)19-8-5-4-6-9-19/h4-14,16-17,22,30H,3,15H2,1-2H3,(H,31,32)/t17-,22+/m1/s1.

What are the key properties of (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide?

(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 465.42 g/mol, XLogP of 7.44, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 93123779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).