2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide

C17H16F3NO2 — CID 71078628

IUPAC2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11-4-3-5-13(8-11)21-16(22)9-12-6-7-14(23-2)10-15(12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyAGAHCMJADGMERE-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.20
Rot. Bonds4

About 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide

2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide (PubChem CID 71078628) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
PubChem CID71078628
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11-4-3-5-13(8-11)21-16(22)9-12-6-7-14(23-2)10-15(12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyAGAHCMJADGMERE-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 71076797
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
propan-2-yl 4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzenecarboperoxoate
CID 89253550
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7973630
2-[4-[(2,5-dimethoxyphenyl)methylamino]phenyl]-N-(3-methylphenyl)acetamide
CID 42852610
N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 126690445
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 23409030
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
N-(3-methylphenyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487504

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide (CID 71078628) is 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(C)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide?
The InChIKey is AGAHCMJADGMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-4-3-5-13(8-11)21-16(22)9-12-6-7-14(23-2)10-15(12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide?
2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide has a molecular weight of 323.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 71078628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).