1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea

C23H21N3O2 — CID 5329881

IUPAC1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESCc1cccc(NC(=O)N(C)c2ccc(-c3cccc4c3CNC4=O)cc2)c1
InChIInChI=1S/C23H21N3O2/c1-15-5-3-6-17(13-15)25-23(28)26(2)18-11-9-16(10-12-18)19-7-4-8-20-21(19)14-24-22(20)27/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGLHRHNGZMOUIMV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.57
Rot. Bonds3

About 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea

1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (PubChem CID 5329881) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
PubChem CID5329881
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESCc1cccc(NC(=O)N(C)c2ccc(-c3cccc4c3CNC4=O)cc2)c1
InChIInChI=1S/C23H21N3O2/c1-15-5-3-6-17(13-15)25-23(28)26(2)18-11-9-16(10-12-18)19-7-4-8-20-21(19)14-24-22(20)27/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGLHRHNGZMOUIMV-UHFFFAOYSA-N
XLogP4.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea with MolForge

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Related Compounds

Grl-0617
CID 24941262
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
1-{[(4-tert-butylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
CID 2731902
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329880
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5329888
3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 5329889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The IUPAC name of 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (CID 5329881) is 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is Cc1cccc(NC(=O)N(C)c2ccc(-c3cccc4c3CNC4=O)cc2)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The InChIKey is GLHRHNGZMOUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-5-3-6-17(13-15)25-23(28)26(2)18-11-9-16(10-12-18)19-7-4-8-20-21(19)14-24-22(20)27/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea has a molecular weight of 371.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is sourced from PubChem (CID 5329881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).