2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H19F3N2O4 — CID 9220518

IUPAC2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4/c1-13-3-7-15(8-4-13)27-12-18(26)24(2)11-17(25)23-14-5-9-16(10-6-14)28-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyYPUYGAXNVMKCCR-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.37
Rot. Bonds7

About 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 9220518) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID9220518
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4/c1-13-3-7-15(8-4-13)27-12-18(26)24(2)11-17(25)23-14-5-9-16(10-6-14)28-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyYPUYGAXNVMKCCR-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8781642
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 7893750
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 47033491
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 9220518) is 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YPUYGAXNVMKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-13-3-7-15(8-4-13)27-12-18(26)24(2)11-17(25)23-14-5-9-16(10-6-14)28-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 9220518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).