N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

C21H23F3N2O2 — CID 167926376

IUPACN-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(CCNC(=O)C(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-14(13-17-3-7-18(8-4-17)21(22,23)24)20(28)25-12-11-16-5-9-19(10-6-16)26-15(2)27/h3-10,14H,11-13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMOORHHNZBABBLD-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.20
Rot. Bonds7

About N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 167926376) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID167926376
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(CCNC(=O)C(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-14(13-17-3-7-18(8-4-17)21(22,23)24)20(28)25-12-11-16-5-9-19(10-6-16)26-15(2)27/h3-10,14H,11-13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMOORHHNZBABBLD-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
N-[2-(4-fluorophenyl)ethyl]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 25109287
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 167926376) is N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)Nc1ccc(CCNC(=O)C(C)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MOORHHNZBABBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14(13-17-3-7-18(8-4-17)21(22,23)24)20(28)25-12-11-16-5-9-19(10-6-16)26-15(2)27/h3-10,14H,11-13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 392.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 167926376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).