1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea

C16H12N4O2 — CID 155113952

IUPAC1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H12N4O2/c17-9-10-1-3-12(4-2-10)18-16(22)19-13-5-6-14-11(7-13)8-15(21)20-14/h1-7H,8H2,(H,20,21)(H2,18,19,22)
InChIKeyIQIWUOTUOMCHCL-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.70
Rot. Bonds2

About 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea

1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 155113952) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID155113952
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H12N4O2/c17-9-10-1-3-12(4-2-10)18-16(22)19-13-5-6-14-11(7-13)8-15(21)20-14/h1-7H,8H2,(H,20,21)(H2,18,19,22)
InChIKeyIQIWUOTUOMCHCL-UHFFFAOYSA-N
XLogP2.70
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 14476472
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 155113952) is 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea is N#Cc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is IQIWUOTUOMCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-9-10-1-3-12(4-2-10)18-16(22)19-13-5-6-14-11(7-13)8-15(21)20-14/h1-7H,8H2,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 292.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 155113952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).