1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea

C25H24ClN3O2 — CID 53099726

About 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea

1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (PubChem CID 53099726) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
• PubChem CID: 53099726
• Molecular Formula: C25H24ClN3O2
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.16
• IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
• SMILES: Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)c1
• InChI: InChI=1S/C25H24ClN3O2/c1-16-4-3-5-20(12-16)24(30)29-11-10-19-8-7-18(13-23(19)29)15-27-25(31)28-22-14-21(26)9-6-17(22)2/h3-9,12-14H,10-11,15H2,1-2H3,(H2,27,28,31)
• InChIKey: AIPWUWQSUMIEJJ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.94
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?

The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (CID 53099726) is 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.

What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?

The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)c1.

What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?

The InChIKey is AIPWUWQSUMIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-16-4-3-5-20(12-16)24(30)29-11-10-19-8-7-18(13-23(19)29)15-27-25(31)28-22-14-21(26)9-6-17(22)2/h3-9,12-14H,10-11,15H2,1-2H3,(H2,27,28,31).

What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?

1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea has a molecular weight of 433.94 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is sourced from PubChem (CID 53099726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).