1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea

C16H15N3O2 — CID 165032229

IUPAC1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)cc1
InChIInChI=1S/C16H15N3O2/c1-10-2-5-12(6-3-10)17-16(21)18-13-7-4-11-8-15(20)19-14(11)9-13/h2-7,9H,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyMVJVROCOUSHGTO-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea

1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea (PubChem CID 165032229) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
PubChem CID165032229
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)cc1
InChIInChI=1S/C16H15N3O2/c1-10-2-5-12(6-3-10)17-16(21)18-13-7-4-11-8-15(20)19-14(11)9-13/h2-7,9H,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyMVJVROCOUSHGTO-UHFFFAOYSA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]benzamide
CID 165033132
1,6-dimethyl-N-(2-oxo-1,3-dihydroindol-6-yl)indole-3-carboxamide
CID 166430768
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
1-O-ethyl 3-O-methyl 2-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]propanedioate
CID 158792058
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
N-[4-[2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 166252588
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
CID 162521066
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 122140644
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea (CID 165032229) is 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea?
The InChIKey is MVJVROCOUSHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-2-5-12(6-3-10)17-16(21)18-13-7-4-11-8-15(20)19-14(11)9-13/h2-7,9H,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea?
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea has a molecular weight of 281.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 165032229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).