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

C22H19N3O3 — CID 5329893

IUPAC1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1
InChIInChI=1S/C22H19N3O3/c1-28-17-5-2-4-16(12-17)25-22(27)24-15-10-8-14(9-11-15)18-6-3-7-19-20(18)13-23-21(19)26/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyNGGYTYVBQXNVTI-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.25
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (PubChem CID 5329893) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
PubChem CID5329893
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1
InChIInChI=1S/C22H19N3O3/c1-28-17-5-2-4-16(12-17)25-22(27)24-15-10-8-14(9-11-15)18-6-3-7-19-20(18)13-23-21(19)26/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyNGGYTYVBQXNVTI-UHFFFAOYSA-N
XLogP4.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (CID 5329893) is 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is COc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The InChIKey is NGGYTYVBQXNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-17-5-2-4-16(12-17)25-22(27)24-15-10-8-14(9-11-15)18-6-3-7-19-20(18)13-23-21(19)26/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea has a molecular weight of 373.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is sourced from PubChem (CID 5329893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).