1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea

C21H15ClN4O2 — CID 135995904

IUPAC1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESO=C(Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H15ClN4O2/c22-13-4-3-5-16(12-13)25-21(28)24-15-10-8-14(9-11-15)23-19-17-6-1-2-7-18(17)26-20(19)27/h1-12H,(H,23,26,27)(H2,24,25,28)
InChIKeyOXOFQBIIMLFIGL-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.06
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea

1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (PubChem CID 135995904) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
PubChem CID135995904
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESO=C(Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H15ClN4O2/c22-13-4-3-5-16(12-13)25-21(28)24-15-10-8-14(9-11-15)23-19-17-6-1-2-7-18(17)26-20(19)27/h1-12H,(H,23,26,27)(H2,24,25,28)
InChIKeyOXOFQBIIMLFIGL-UHFFFAOYSA-N
XLogP5.06
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]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

3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
(E)-3-(2,3-dichlorophenylimino)indolin-2-one
CID 135559217
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
CID 137062187
3-((3-Chlorophenyl)imino)indolin-2-one
CID 135411932
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(3-chlorophenyl)urea
CID 137062185
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea
CID 137062186
5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one
CID 137199823
3-(4-Chloroanilino)-7-methylindol-2-one
CID 135444079
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 135995902
1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995903
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (CID 135995904) is 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is O=C(Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The InChIKey is OXOFQBIIMLFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-13-4-3-5-16(12-13)25-21(28)24-15-10-8-14(9-11-15)23-19-17-6-1-2-7-18(17)26-20(19)27/h1-12H,(H,23,26,27)(H2,24,25,28).
What are the key properties of 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea has a molecular weight of 390.83 g/mol, XLogP of 5.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is sourced from PubChem (CID 135995904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).