1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea

C24H22ClN3O2 — CID 92881695

About 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea

1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 92881695) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
• PubChem CID: 92881695
• Molecular Formula: C24H22ClN3O2
• Molecular Weight: 419.91 g/mol
• Exact Mass: 419.14
• IUPAC Name: 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
• SMILES: O=C(Nc1ccccc1Cl)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21
• InChI: InChI=1S/C24H22ClN3O2/c25-19-11-5-6-12-20(19)26-24(30)27-21(16-17-8-2-1-3-9-17)23(29)28-15-14-18-10-4-7-13-22(18)28/h1-13,21H,14-16H2,(H2,26,27,30)/t21-/m1/s1
• InChIKey: FKNNUZPCZSLDSC-OAQYLSRUSA-N
• XLogP: 4.66
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.91
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?

The IUPAC name of 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea (CID 92881695) is 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea.

What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?

The canonical SMILES for 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea is O=C(Nc1ccccc1Cl)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21.

What is the InChIKey of 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?

The InChIKey is FKNNUZPCZSLDSC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-19-11-5-6-12-20(19)26-24(30)27-21(16-17-8-2-1-3-9-17)23(29)28-15-14-18-10-4-7-13-22(18)28/h1-13,21H,14-16H2,(H2,26,27,30)/t21-/m1/s1.

What are the key properties of 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?

1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 419.91 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 92881695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).