1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea

C16H15N3O2 — CID 110405906

IUPAC1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
SMILESCC1C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C16H15N3O2/c1-10-13-9-12(7-8-14(13)19-15(10)20)18-16(21)17-11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLEGDCONOPXTMMF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.39
Rot. Bonds2

About 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea

1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea (PubChem CID 110405906) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
PubChem CID110405906
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
SMILESCC1C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C16H15N3O2/c1-10-13-9-12(7-8-14(13)19-15(10)20)18-16(21)17-11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLEGDCONOPXTMMF-UHFFFAOYSA-N
XLogP3.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
CID 110405900
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857
2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405916
5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110667010
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide
CID 110405988
2-[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethoxy]-N-phenylbenzamide
CID 9018566
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110667031
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110405989
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110405940

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea?
The IUPAC name of 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea (CID 110405906) is 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea is CC1C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc21.
What is the InChIKey of 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea?
The InChIKey is LEGDCONOPXTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-13-9-12(7-8-14(13)19-15(10)20)18-16(21)17-11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea?
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea has a molecular weight of 281.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea is sourced from PubChem (CID 110405906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).