2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H21F3N2O3 — CID 113164597

IUPAC2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)=O
InChIInChI=1S/C20H21F3N2O3/c1-14(26)25(12-11-15-7-3-6-10-18(15)28-2)13-19(27)24-17-9-5-4-8-16(17)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyDQYLIOVUTOOQNY-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.74
Rot. Bonds7

About 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 113164597) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID113164597
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)=O
InChIInChI=1S/C20H21F3N2O3/c1-14(26)25(12-11-15-7-3-6-10-18(15)28-2)13-19(27)24-17-9-5-4-8-16(17)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyDQYLIOVUTOOQNY-UHFFFAOYSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164509
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7958698
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 113164597) is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccccc1CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DQYLIOVUTOOQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-14(26)25(12-11-15-7-3-6-10-18(15)28-2)13-19(27)24-17-9-5-4-8-16(17)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27).
What are the key properties of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113164597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).