3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

C15H8ClF3N2O — CID 135672018

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF3N2O/c16-11-6-5-8(7-10(11)15(17,18)19)20-13-9-3-1-2-4-12(9)21-14(13)22/h1-7H,(H,20,21,22)
InChIKeyOBOKKGCEZFLRFB-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.43
Rot. Bonds1

About 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one (PubChem CID 135672018) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
PubChem CID135672018
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF3N2O/c16-11-6-5-8(7-10(11)15(17,18)19)20-13-9-3-1-2-4-12(9)21-14(13)22/h1-7H,(H,20,21,22)
InChIKeyOBOKKGCEZFLRFB-UHFFFAOYSA-N
XLogP4.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 172639983
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
3-dibenzofuran-2-ylimino-1H-indol-2-one
CID 135739843
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
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135416511
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
5-[(4-bromophenyl)methylidene]-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135523221
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523358

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one (CID 135672018) is 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
The InChIKey is OBOKKGCEZFLRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-11-6-5-8(7-10(11)15(17,18)19)20-13-9-3-1-2-4-12(9)21-14(13)22/h1-7H,(H,20,21,22).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one?
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one has a molecular weight of 324.69 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135672018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).