1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea

C21H14Cl2N4O2 — CID 137062186

IUPAC1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H14Cl2N4O2/c22-12-1-4-15(5-2-12)25-21(29)26-16-8-6-14(7-9-16)24-19-17-11-13(23)3-10-18(17)27-20(19)28/h1-11H,(H,24,27,28)(H2,25,26,29)
InChIKeyUVYSLYUGYAMGFT-UHFFFAOYSA-N
MW425.28 g/mol
LogP5.71
Rot. Bonds3

About 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea

1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea (PubChem CID 137062186) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea
PubChem CID137062186
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC Name1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H14Cl2N4O2/c22-12-1-4-15(5-2-12)25-21(29)26-16-8-6-14(7-9-16)24-19-17-11-13(23)3-10-18(17)27-20(19)28/h1-11H,(H,24,27,28)(H2,25,26,29)
InChIKeyUVYSLYUGYAMGFT-UHFFFAOYSA-N
XLogP5.71
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea (CID 137062186) is 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is UVYSLYUGYAMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c22-12-1-4-15(5-2-12)25-21(29)26-16-8-6-14(7-9-16)24-19-17-11-13(23)3-10-18(17)27-20(19)28/h1-11H,(H,24,27,28)(H2,25,26,29).
What are the key properties of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea?
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 425.28 g/mol, XLogP of 5.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 137062186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).