3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H19F3N2O — CID 109036048

IUPAC3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O/c1-12-6-5-9-15(13(12)2)22-11-10-17(24)23-16-8-4-3-7-14(16)18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyWNIZRJVZCPDBBQ-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.76
Rot. Bonds5

About 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109036048) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109036048
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O/c1-12-6-5-9-15(13(12)2)22-11-10-17(24)23-16-8-4-3-7-14(16)18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyWNIZRJVZCPDBBQ-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035942
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
N-[2-methyl-3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]phenyl]propanamide
CID 47077586

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109036048) is 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1cccc(NCCC(=O)Nc2ccccc2C(F)(F)F)c1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WNIZRJVZCPDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-12-6-5-9-15(13(12)2)22-11-10-17(24)23-16-8-4-3-7-14(16)18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109036048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).