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

C21H14ClFN4O2 — CID 135995907

IUPAC1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESO=C(Nc1ccc(/N=C2\C(=O)Nc3ccc(F)cc32)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H14ClFN4O2/c22-12-2-1-3-16(10-12)26-21(29)25-15-7-5-14(6-8-15)24-19-17-11-13(23)4-9-18(17)27-20(19)28/h1-11H,(H,24,27,28)(H2,25,26,29)
InChIKeyXGTSOIKZBUGJCR-UHFFFAOYSA-N
MW408.82 g/mol
LogP5.20
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (PubChem CID 135995907) has the molecular formula C21H14ClFN4O2 and a molecular weight of 408.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
PubChem CID135995907
Molecular FormulaC21H14ClFN4O2
Molecular Weight408.82 g/mol
Exact Mass408.08
IUPAC Name1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESO=C(Nc1ccc(/N=C2\C(=O)Nc3ccc(F)cc32)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H14ClFN4O2/c22-12-2-1-3-16(10-12)26-21(29)25-15-7-5-14(6-8-15)24-19-17-11-13(23)4-9-18(17)27-20(19)28/h1-11H,(H,24,27,28)(H2,25,26,29)
InChIKeyXGTSOIKZBUGJCR-UHFFFAOYSA-N
XLogP5.20
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 55.20
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

3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
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
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-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995904
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
1-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 135995906
1-(4-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995908
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (CID 135995907) is 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is O=C(Nc1ccc(/N=C2\C(=O)Nc3ccc(F)cc32)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The InChIKey is XGTSOIKZBUGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2/c22-12-2-1-3-16(10-12)26-21(29)25-15-7-5-14(6-8-15)24-19-17-11-13(23)4-9-18(17)27-20(19)28/h1-11H,(H,24,27,28)(H2,25,26,29).
What are the key properties of 1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea has a molecular weight of 408.82 g/mol, XLogP of 5.20, 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-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is sourced from PubChem (CID 135995907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).