(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide

C22H26ClN3O — CID 125124025

About (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide

(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 125124025) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
• PubChem CID: 125124025
• Molecular Formula: C22H26ClN3O
• Molecular Weight: 383.92 g/mol
• Exact Mass: 383.18
• IUPAC Name: (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
• SMILES: CC(C)C[C@H](C(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)n1cccc1
• InChI: InChI=1S/C22H26ClN3O/c1-14(2)13-19(26-11-3-4-12-26)22(27)24-18-10-6-8-16-15-7-5-9-17(23)20(15)25-21(16)18/h3-5,7,9,11-12,14,18-19,25H,6,8,10,13H2,1-2H3,(H,24,27)/t18-,19-/m1/s1
• InChIKey: SIQIOAZDCGEASD-RTBURBONSA-N
• XLogP: 5.40
• TPSA: 49.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.92
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide?

The IUPAC name of (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide (CID 125124025) is (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide.

What is the SMILES notation for (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide?

The canonical SMILES for (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide is CC(C)C[C@H](C(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)n1cccc1.

What is the InChIKey of (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide?

The InChIKey is SIQIOAZDCGEASD-RTBURBONSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-14(2)13-19(26-11-3-4-12-26)22(27)24-18-10-6-8-16-15-7-5-9-17(23)20(15)25-21(16)18/h3-5,7,9,11-12,14,18-19,25H,6,8,10,13H2,1-2H3,(H,24,27)/t18-,19-/m1/s1.

What are the key properties of (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide?

(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 383.92 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 125124025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).