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

C21H15ClN4O2 — CID 135995905

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

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

1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (PubChem CID 135995905) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
PubChem CID135995905
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H15ClN4O2/c22-13-5-7-15(8-6-13)24-21(28)25-16-11-9-14(10-12-16)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H,23,26,27)(H2,24,25,28)
InChIKeyLVOLDCCULPVRSN-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'}

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Related Compounds

1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135516462
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
CID 135672018
4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559471
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (CID 135995905) is 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The InChIKey is LVOLDCCULPVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-13-5-7-15(8-6-13)24-21(28)25-16-11-9-14(10-12-16)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H,23,26,27)(H2,24,25,28).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
1-(4-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-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is sourced from PubChem (CID 135995905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).