4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide

C20H20F3NO3 — CID 41369771

IUPAC4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2OCC(F)(F)F)cc1C
InChIInChI=1S/C20H20F3NO3/c1-13-7-8-15(11-14(13)2)17(25)9-10-19(26)24-16-5-3-4-6-18(16)27-12-20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,26)
InChIKeyMWVYQNIXXURPBD-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.85
Rot. Bonds7

About 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide

4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 41369771) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID41369771
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2OCC(F)(F)F)cc1C
InChIInChI=1S/C20H20F3NO3/c1-13-7-8-15(11-14(13)2)17(25)9-10-19(26)24-16-5-3-4-6-18(16)27-12-20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,26)
InChIKeyMWVYQNIXXURPBD-UHFFFAOYSA-N
XLogP4.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-oxo-4-[2-(trifluoromethyl)anilino]butanoate
CID 2066871
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9426763
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
[2-(2-iodoanilino)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 46611519
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 38169062

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 41369771) is 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2OCC(F)(F)F)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is MWVYQNIXXURPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-13-7-8-15(11-14(13)2)17(25)9-10-19(26)24-16-5-3-4-6-18(16)27-12-20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H,24,26).
What are the key properties of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 379.38 g/mol, XLogP of 4.85, 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)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 41369771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).