2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C24H23Cl2N5O — CID 122193795

About 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 122193795) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
• PubChem CID: 122193795
• Molecular Formula: C24H23Cl2N5O
• Molecular Weight: 468.39 g/mol
• Exact Mass: 467.13
• IUPAC Name: 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
• SMILES: Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(C)CCc4[nH]c5c(C)cccc5c4C3)c(Cl)c2)n1
• InChI: InChI=1S/C24H23Cl2N5O/c1-13-5-4-6-16-17-11-24(3,8-7-20(17)28-22(13)16)29-23(32)21-18(25)9-15(10-19(21)26)31-12-27-14(2)30-31/h4-6,9-10,12,28H,7-8,11H2,1-3H3,(H,29,32)/t24-/m1/s1
• InChIKey: GMKATFWNCVLCOD-XMMPIXPASA-N
• XLogP: 5.35
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.39
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

The IUPAC name of 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 122193795) is 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

What is the SMILES notation for 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

The canonical SMILES for 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(C)CCc4[nH]c5c(C)cccc5c4C3)c(Cl)c2)n1.

What is the InChIKey of 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

The InChIKey is GMKATFWNCVLCOD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c1-13-5-4-6-16-17-11-24(3,8-7-20(17)28-22(13)16)29-23(32)21-18(25)9-15(10-19(21)26)31-12-27-14(2)30-31/h4-6,9-10,12,28H,7-8,11H2,1-3H3,(H,29,32)/t24-/m1/s1.

What are the key properties of 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 468.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[(3R)-3,8-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 122193795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).