1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

C20H20F3N3O — CID 559521

IUPAC1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESCCN(CC)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C20H20F3N3O/c1-3-25(4-2)13-26-17-11-6-5-10-16(17)18(19(26)27)24-15-9-7-8-14(12-15)20(21,22)23/h5-12H,3-4,13H2,1-2H3/b24-18-
InChIKeyFDROJKDHJQGXCW-MOHJPFBDSA-N
MW375.39 g/mol
LogP4.47
Rot. Bonds5

About 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (PubChem CID 559521) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.

Molecular Properties

Compound Name1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
PubChem CID559521
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
SMILESCCN(CC)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C20H20F3N3O/c1-3-25(4-2)13-26-17-11-6-5-10-16(17)18(19(26)27)24-15-9-7-8-14(12-15)20(21,22)23/h5-12H,3-4,13H2,1-2H3/b24-18-
InChIKeyFDROJKDHJQGXCW-MOHJPFBDSA-N
XLogP4.47
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-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

1-Phenyl-3-((3-(trifluoromethyl)phenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 1471834
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930
1-Methyl-3-[(methylphenylamino)azamethylene]benzo[d]azolin-2-one
CID 5331878
3-[(acetyloxy)imino]-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 9581782
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
1-(4-(4-(3-a,a,a-Trifluorotolyl)-1-piperazinyl)butyl)-indolin-2-one
CID 44436306
3-[4-(Diethylamino)anilino]indol-2-one
CID 135437679
N-benzyl-1-methyl-2-oxoindol-3-imine oxide
CID 145981593
3,5-difluoro-1-(2-phenylethyl)-3H-indol-2-one
CID 168291248
N-methyl-N-{4-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]phenyl}acetamide
CID 135453574
1-methyl-3-[(4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 2816035

Frequently Asked Questions

What is the IUPAC name of 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The IUPAC name of 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one (CID 559521) is 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one.
What is the SMILES notation for 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The canonical SMILES for 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is CCN(CC)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
The InChIKey is FDROJKDHJQGXCW-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-3-25(4-2)13-26-17-11-6-5-10-16(17)18(19(26)27)24-15-9-7-8-14(12-15)20(21,22)23/h5-12H,3-4,13H2,1-2H3/b24-18-.
What are the key properties of 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one?
1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one has a molecular weight of 375.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylaminomethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one is sourced from PubChem (CID 559521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).