4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide

C23H17F3N2O2 — CID 2342968

IUPAC4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide
SMILESCOc1ccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H17F3N2O2/c1-30-19-11-9-15(10-12-19)22(29)27-21-20-8-3-2-5-16(20)14-28(21)18-7-4-6-17(13-18)23(24,25)26/h2-13H,14H2,1H3/b27-21+
InChIKeyLTUSFWYZVLGPDX-SZXQPVLSSA-N
MW410.40 g/mol
LogP5.32
Rot. Bonds3

About 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide

4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide (PubChem CID 2342968) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide
PubChem CID2342968
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide
SMILESCOc1ccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H17F3N2O2/c1-30-19-11-9-15(10-12-19)22(29)27-21-20-8-3-2-5-16(20)14-28(21)18-7-4-6-17(13-18)23(24,25)26/h2-13H,14H2,1H3/b27-21+
InChIKeyLTUSFWYZVLGPDX-SZXQPVLSSA-N
XLogP5.32
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide
CID 2352887
4-chloro-N-[2-(3,4-difluorophenyl)-3H-isoindol-1-ylidene]benzamide
CID 2333188
4-methyl-N-[2-[4-pyrrolidin-1-yl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-isoindol-1-ylidene]benzamide
CID 3621079
1-phenyl-3-thiophen-2-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]pyrazole-4-carboxamide
CID 2320151
methyl 3-(3-methylimino-1H-isoindol-2-yl)benzoate
CID 660618
2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
CID 3849972
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxybenzoate
CID 55397563
3,4-dichloro-N-[2-(4-cyanophenyl)-3H-isoindol-1-ylidene]benzamide
CID 2358663
4-methoxy-N-[2-methoxy-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678072
(2R)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 1334862
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide?
The IUPAC name of 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide (CID 2342968) is 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide is COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide?
The InChIKey is LTUSFWYZVLGPDX-SZXQPVLSSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-30-19-11-9-15(10-12-19)22(29)27-21-20-8-3-2-5-16(20)14-28(21)18-7-4-6-17(13-18)23(24,25)26/h2-13H,14H2,1H3/b27-21+.
What are the key properties of 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide?
4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide has a molecular weight of 410.40 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]benzamide is sourced from PubChem (CID 2342968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).