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IM-12

CAT: 0127-BUP13347-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13347-01Size:5 mg
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CAS Number
1129669-05-1
Synonyms
IM 12
Purity
=98%
Smiles
CN1C(=O)C(NCCc2ccc(F)cc2)=C(C1=O)c1c(C)[nH]c2ccccc12

Chemical Information

3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione is an organonitrogen compound, an organooxygen compound and a member of maleimides. It is functionally related to an alpha-amino acid.

CAS Number1129669-05-1
PubChem CID25209788
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
Molecular FormulaC22H20FN3O2
Molecular Weight377.4
XLogP3.9
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity656
SMILES
CC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)NCCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3
InChIKey
ZKJAZFUFPPSFCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CAS: 1129669-05-1
CID: 25209788
Formula: C22H20FN3O2
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass377.15395505
Monoisotopic Mass377.15395505
Topological Polar Surface Area65.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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