1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea

C22H19N3O3 — CID 122639252

IUPAC1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccccc3)c3c2CNC3=O)cc1
InChIInChI=1S/C22H19N3O3/c1-28-16-9-7-14(8-10-16)17-11-12-19(20-18(17)13-23-21(20)26)25-22(27)24-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyDOYKHKZDUZQEAY-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.25
Rot. Bonds4

About 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea

1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea (PubChem CID 122639252) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea
PubChem CID122639252
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea
SMILESCOc1ccc(-c2ccc(NC(=O)Nc3ccccc3)c3c2CNC3=O)cc1
InChIInChI=1S/C22H19N3O3/c1-28-16-9-7-14(8-10-16)17-11-12-19(20-18(17)13-23-21(20)26)25-22(27)24-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyDOYKHKZDUZQEAY-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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Related Compounds

(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
1-[4-(7-methoxy-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-(3-methylphenyl)urea
CID 5329914
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-phenylurea
CID 5329877
7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one
CID 122639239
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 5329880
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
1-(2-bromophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11350703
1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11372347
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea?
The IUPAC name of 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea (CID 122639252) is 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea?
The canonical SMILES for 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea is COc1ccc(-c2ccc(NC(=O)Nc3ccccc3)c3c2CNC3=O)cc1.
What is the InChIKey of 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea?
The InChIKey is DOYKHKZDUZQEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-16-9-7-14(8-10-16)17-11-12-19(20-18(17)13-23-21(20)26)25-22(27)24-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of 1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea?
1-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea 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-[7-(4-methoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-3-phenylurea is sourced from PubChem (CID 122639252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).