3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide

C20H21F3N2O3 — CID 113130389

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O3/c1-13-8-9-18(28-3)16(12-13)24-19(27)10-11-25(14(2)26)17-7-5-4-6-15(17)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeyHTUPOWXYORHYAR-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.40
Rot. Bonds6

About 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 113130389) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID113130389
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O3/c1-13-8-9-18(28-3)16(12-13)24-19(27)10-11-25(14(2)26)17-7-5-4-6-15(17)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeyHTUPOWXYORHYAR-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
CID 113130362
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113126214
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide (CID 113130389) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCN(C(C)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is HTUPOWXYORHYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13-8-9-18(28-3)16(12-13)24-19(27)10-11-25(14(2)26)17-7-5-4-6-15(17)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 394.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113130389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).