1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one

C17H12BrF3N2O — CID 164679569

IUPAC1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one
SMILESO=C1/C(=N\CC(F)(F)F)c2cc(Br)ccc2N1Cc1ccccc1
InChIInChI=1S/C17H12BrF3N2O/c18-12-6-7-14-13(8-12)15(22-10-17(19,20)21)16(24)23(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2/b22-15-
InChIKeyUDVKDYMOXDGEKC-JCMHNJIXSA-N
MW397.19 g/mol
LogP4.35
Rot. Bonds3

About 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one

1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one (PubChem CID 164679569) has the molecular formula C17H12BrF3N2O and a molecular weight of 397.19 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one.

Molecular Properties

Compound Name1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one
PubChem CID164679569
Molecular FormulaC17H12BrF3N2O
Molecular Weight397.19 g/mol
Exact Mass396.01
IUPAC Name1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one
SMILESO=C1/C(=N\CC(F)(F)F)c2cc(Br)ccc2N1Cc1ccccc1
InChIInChI=1S/C17H12BrF3N2O/c18-12-6-7-14-13(8-12)15(22-10-17(19,20)21)16(24)23(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2/b22-15-
InChIKeyUDVKDYMOXDGEKC-JCMHNJIXSA-N
XLogP4.35
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
CID 135411933
5-Bromo-3-(4-methylanilino)indol-2-one
CID 135400371
(3Z)-3-[(4-bromo-2-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135497759
5-Bromo-1-methyl-2-oxoindoline
CID 2432666
1-(2-Propynyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 11544426
1-(Ethylpropyl)-3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d]azolidin-2-one
CID 44412817
4-[2-[(5-Bromo-1-methyl-2-oxoindol-3-ylidene)amino]ethyl]benzenesulfonamide
CID 137655984
5-bromo-3-piperidin-1-ylimino-1H-indol-2-one
CID 145977765
(3Z)-3-[(2-bromophenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135412567
7-[(3E)-5-bromo-3-methoxyimino-2-oxoindol-1-yl]-N-hydroxyheptanamide
CID 76335292
(5-Bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 599399
(e)-1-Methyl-3-(phenylimino)indolin-2-one
CID 11218587

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one?
The IUPAC name of 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one (CID 164679569) is 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one.
What is the SMILES notation for 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one?
The canonical SMILES for 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one is O=C1/C(=N\CC(F)(F)F)c2cc(Br)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one?
The InChIKey is UDVKDYMOXDGEKC-JCMHNJIXSA-N. The full InChI is InChI=1S/C17H12BrF3N2O/c18-12-6-7-14-13(8-12)15(22-10-17(19,20)21)16(24)23(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2/b22-15-.
What are the key properties of 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one?
1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one has a molecular weight of 397.19 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-3-(2,2,2-trifluoroethylimino)indol-2-one is sourced from PubChem (CID 164679569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).