5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide

C20H22BrClN2O2 — CID 162379666

About 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 162379666) has the molecular formula C20H22BrClN2O2 and a molecular weight of 437.77 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
• PubChem CID: 162379666
• Molecular Formula: C20H22BrClN2O2
• Molecular Weight: 437.77 g/mol
• Exact Mass: 436.06
• IUPAC Name: 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
• SMILES: CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(Cl)c(Br)cc2C1
• InChI: InChI=1S/C20H22BrClN2O2/c1-2-6-24(12-19(25)13-4-3-5-23-11-13)20(26)16-7-14-9-17(21)18(22)10-15(14)8-16/h3-5,9-11,16,19,25H,2,6-8,12H2,1H3/t16?,19-/m1/s1
• InChIKey: GQYZIRLCECBAJJ-LRTDYKAYSA-N
• XLogP: 4.18
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.77
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?

The IUPAC name of 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide (CID 162379666) is 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide.

What is the SMILES notation for 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?

The canonical SMILES for 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(Cl)c(Br)cc2C1.

What is the InChIKey of 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?

The InChIKey is GQYZIRLCECBAJJ-LRTDYKAYSA-N. The full InChI is InChI=1S/C20H22BrClN2O2/c1-2-6-24(12-19(25)13-4-3-5-23-11-13)20(26)16-7-14-9-17(21)18(22)10-15(14)8-16/h3-5,9-11,16,19,25H,2,6-8,12H2,1H3/t16?,19-/m1/s1.

What are the key properties of 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?

5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 437.77 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 162379666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).