5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide

C21H20ClN3O2 — CID 11625122

About 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide (PubChem CID 11625122) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 11625122
• Molecular Formula: C21H20ClN3O2
• Molecular Weight: 381.86 g/mol
• Exact Mass: 381.12
• IUPAC Name: 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
• SMILES: CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21
• InChI: InChI=1S/C21H20ClN3O2/c1-23-20(26)17-11-15(9-12-4-2-3-5-16(12)17)24-21(27)19-10-13-8-14(22)6-7-18(13)25-19/h2-8,10,15,17,25H,9,11H2,1H3,(H,23,26)(H,24,27)/t15-,17+/m0/s1
• InChIKey: DNQQQKOPXHORJJ-DOTOQJQBSA-N
• XLogP: 3.40
• TPSA: 73.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.86
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide (CID 11625122) is 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21.

What is the InChIKey of 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?

The InChIKey is DNQQQKOPXHORJJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-23-20(26)17-11-15(9-12-4-2-3-5-16(12)17)24-21(27)19-10-13-8-14(22)6-7-18(13)25-19/h2-8,10,15,17,25H,9,11H2,1H3,(H,23,26)(H,24,27)/t15-,17+/m0/s1.

What are the key properties of 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?

5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11625122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).