1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea

C19H20FN3O2 — CID 46383450

IUPAC1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C19H20FN3O2/c1-12-7-8-15(11-16(12)20)22-19(25)21-13(2)18(24)23-10-9-14-5-3-4-6-17(14)23/h3-8,11,13H,9-10H2,1-2H3,(H2,21,22,25)
InChIKeyCMOUEGGZNOVDGW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea (PubChem CID 46383450) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea
PubChem CID46383450
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)C(=O)N2CCc3ccccc32)cc1F
InChIInChI=1S/C19H20FN3O2/c1-12-7-8-15(11-16(12)20)22-19(25)21-13(2)18(24)23-10-9-14-5-3-4-6-17(14)23/h3-8,11,13H,9-10H2,1-2H3,(H2,21,22,25)
InChIKeyCMOUEGGZNOVDGW-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881472
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethylphenyl)urea
CID 46383540
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea (CID 46383450) is 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea is Cc1ccc(NC(=O)NC(C)C(=O)N2CCc3ccccc32)cc1F.
What is the InChIKey of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea?
The InChIKey is CMOUEGGZNOVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-7-8-15(11-16(12)20)22-19(25)21-13(2)18(24)23-10-9-14-5-3-4-6-17(14)23/h3-8,11,13H,9-10H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea?
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea has a molecular weight of 341.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 46383450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).