N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide

C20H21F3N2O3 — CID 113060962

IUPACN-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C)cc1N(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(C)=O
InChIInChI=1S/C20H21F3N2O3/c1-13-4-9-18(28-3)17(12-13)25(14(2)26)11-10-24-19(27)15-5-7-16(8-6-15)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeyVLCQYEHODXKRQH-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113060962) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113060962
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C)cc1N(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(C)=O
InChIInChI=1S/C20H21F3N2O3/c1-13-4-9-18(28-3)17(12-13)25(14(2)26)11-10-24-19(27)15-5-7-16(8-6-15)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeyVLCQYEHODXKRQH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide
CID 113060920
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide (CID 113060962) is N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide is COc1ccc(C)cc1N(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VLCQYEHODXKRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13-4-9-18(28-3)17(12-13)25(14(2)26)11-10-24-19(27)15-5-7-16(8-6-15)20(21,22)23/h4-9,12H,10-11H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 394.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113060962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).