1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea

C25H24ClN3O2 — CID 53099451

IUPAC1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)cc1
InChIInChI=1S/C25H24ClN3O2/c1-16-3-7-20(8-4-16)24(30)29-12-11-19-9-6-18(13-23(19)29)15-27-25(31)28-22-14-21(26)10-5-17(22)2/h3-10,13-14H,11-12,15H2,1-2H3,(H2,27,28,31)
InChIKeyHYJNZTWKQZTQRJ-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.48
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea

1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (PubChem CID 53099451) 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-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
PubChem CID53099451
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)cc1
InChIInChI=1S/C25H24ClN3O2/c1-16-3-7-20(8-4-16)24(30)29-12-11-19-9-6-18(13-23(19)29)15-27-25(31)28-22-14-21(26)10-5-17(22)2/h3-10,13-14H,11-12,15H2,1-2H3,(H2,27,28,31)
InChIKeyHYJNZTWKQZTQRJ-UHFFFAOYSA-N
XLogP5.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (CID 53099451) is 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(Cl)ccc4C)cc32)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The InChIKey is HYJNZTWKQZTQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-16-3-7-20(8-4-16)24(30)29-12-11-19-9-6-18(13-23(19)29)15-27-25(31)28-22-14-21(26)10-5-17(22)2/h3-10,13-14H,11-12,15H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
1-(5-chloro-2-methylphenyl)-3-[[1-(4-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-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is sourced from PubChem (CID 53099451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).