1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea

C24H22BrN3O2 — CID 92881734

IUPAC1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H22BrN3O2/c25-19-10-12-20(13-11-19)26-24(30)27-21(16-17-6-2-1-3-7-17)23(29)28-15-14-18-8-4-5-9-22(18)28/h1-13,21H,14-16H2,(H2,26,27,30)/t21-/m0/s1
InChIKeyOAYMQFJNPZZONM-NRFANRHFSA-N
MW464.36 g/mol
LogP4.77
Rot. Bonds5

About 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea

1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 92881734) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID92881734
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC Name1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H22BrN3O2/c25-19-10-12-20(13-11-19)26-24(30)27-21(16-17-6-2-1-3-7-17)23(29)28-15-14-18-8-4-5-9-22(18)28/h1-13,21H,14-16H2,(H2,26,27,30)/t21-/m0/s1
InChIKeyOAYMQFJNPZZONM-NRFANRHFSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea (CID 92881734) is 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea is O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is OAYMQFJNPZZONM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c25-19-10-12-20(13-11-19)26-24(30)27-21(16-17-6-2-1-3-7-17)23(29)28-15-14-18-8-4-5-9-22(18)28/h1-13,21H,14-16H2,(H2,26,27,30)/t21-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 464.36 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 92881734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).