1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea

C24H22ClN3O3 — CID 92881593

About 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea (PubChem CID 92881593) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
• PubChem CID: 92881593
• Molecular Formula: C24H22ClN3O3
• Molecular Weight: 435.91 g/mol
• Exact Mass: 435.13
• IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
• SMILES: COc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1
• InChI: InChI=1S/C24H22ClN3O3/c1-31-21-12-11-18(25)15-19(21)26-24(30)27-22(17-8-3-2-4-9-17)23(29)28-14-13-16-7-5-6-10-20(16)28/h2-12,15,22H,13-14H2,1H3,(H2,26,27,30)/t22-/m0/s1
• InChIKey: UUEPCYVUTLSWAX-QFIPXVFZSA-N
• XLogP: 4.80
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.91
LogP ≤ 5	4.80
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-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea?

The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea (CID 92881593) is 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea.

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

The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea is COc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1.

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

The InChIKey is UUEPCYVUTLSWAX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-31-21-12-11-18(25)15-19(21)26-24(30)27-22(17-8-3-2-4-9-17)23(29)28-14-13-16-7-5-6-10-20(16)28/h2-12,15,22H,13-14H2,1H3,(H2,26,27,30)/t22-/m0/s1.

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

1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea has a molecular weight of 435.91 g/mol, XLogP of 4.80, 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-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 92881593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).