N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide

C21H18ClN3O — CID 97425394

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

N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide (PubChem CID 97425394) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
• PubChem CID: 97425394
• Molecular Formula: C21H18ClN3O
• Molecular Weight: 363.85 g/mol
• Exact Mass: 363.11
• IUPAC Name: N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
• SMILES: O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1cccc2[nH]ccc12
• InChI: InChI=1S/C21H18ClN3O/c22-16-7-1-4-13-14-5-2-9-18(20(14)25-19(13)16)24-21(26)15-6-3-8-17-12(15)10-11-23-17/h1,3-4,6-8,10-11,18,23,25H,2,5,9H2,(H,24,26)/t18-/m1/s1
• InChIKey: MHRMIGYZWJVKLQ-GOSISDBHSA-N
• XLogP: 5.11
• TPSA: 60.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.85
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide (CID 97425394) is N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide.

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

The canonical SMILES for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide is O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1cccc2[nH]ccc12.

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

The InChIKey is MHRMIGYZWJVKLQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-16-7-1-4-13-14-5-2-9-18(20(14)25-19(13)16)24-21(26)15-6-3-8-17-12(15)10-11-23-17/h1,3-4,6-8,10-11,18,23,25H,2,5,9H2,(H,24,26)/t18-/m1/s1.

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

N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 5.11, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 97425394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).