4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide

C22H23F3N2O3 — CID 9426763

IUPAC4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C22H23F3N2O3/c1-14-8-9-16(12-15(14)2)19(28)10-11-21(30)27(3)13-20(29)26-18-7-5-4-6-17(18)22(23,24)25/h4-9,12H,10-11,13H2,1-3H3,(H,26,29)
InChIKeyMTDIXKWPWUYZCC-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.38
Rot. Bonds7

About 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide

4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide (PubChem CID 9426763) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
PubChem CID9426763
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C22H23F3N2O3/c1-14-8-9-16(12-15(14)2)19(28)10-11-21(30)27(3)13-20(29)26-18-7-5-4-6-17(18)22(23,24)25/h4-9,12H,10-11,13H2,1-3H3,(H,26,29)
InChIKeyMTDIXKWPWUYZCC-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide with MolForge

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Related Compounds

N-methyl-4-(5-methylthiophen-2-yl)-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9428704
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-oxo-4-[2-(trifluoromethyl)anilino]butanoate
CID 2066871
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 9426396
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
3-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18112807
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 41369771
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide
CID 18112770

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide (CID 9426763) is 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The InChIKey is MTDIXKWPWUYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-14-8-9-16(12-15(14)2)19(28)10-11-21(30)27(3)13-20(29)26-18-7-5-4-6-17(18)22(23,24)25/h4-9,12H,10-11,13H2,1-3H3,(H,26,29).
What are the key properties of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide has a molecular weight of 420.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide is sourced from PubChem (CID 9426763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).