1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea

C21H24ClN3O3 — CID 46383367

About 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea

1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 46383367) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
• PubChem CID: 46383367
• Molecular Formula: C21H24ClN3O3
• Molecular Weight: 401.89 g/mol
• Exact Mass: 401.15
• IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
• SMILES: COc1ccc(Cl)cc1NC(=O)NC(C(=O)N1CCc2ccccc21)C(C)C
• InChI: InChI=1S/C21H24ClN3O3/c1-13(2)19(20(26)25-11-10-14-6-4-5-7-17(14)25)24-21(27)23-16-12-15(22)8-9-18(16)28-3/h4-9,12-13,19H,10-11H2,1-3H3,(H2,23,24,27)
• InChIKey: CJRNPEIXUBZMDP-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.89
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea?

The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea (CID 46383367) is 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea.

What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea?

The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea is COc1ccc(Cl)cc1NC(=O)NC(C(=O)N1CCc2ccccc21)C(C)C.

What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea?

The InChIKey is CJRNPEIXUBZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-13(2)19(20(26)25-11-10-14-6-4-5-7-17(14)25)24-21(27)23-16-12-15(22)8-9-18(16)28-3/h4-9,12-13,19H,10-11H2,1-3H3,(H2,23,24,27).

What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea?

1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 401.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 46383367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).