2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C18H17F3N2O4 — CID 7936390

IUPAC2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H17F3N2O4/c1-23(16(25)10-27-12-5-3-11(26-2)4-6-12)9-15(24)22-14-8-7-13(19)17(20)18(14)21/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyVKEVHNHYEGJVCZ-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.59
Rot. Bonds7

About 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 7936390) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID7936390
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H17F3N2O4/c1-23(16(25)10-27-12-5-3-11(26-2)4-6-12)9-15(24)22-14-8-7-13(19)17(20)18(14)21/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyVKEVHNHYEGJVCZ-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8503379
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 26311942
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 7936390) is 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VKEVHNHYEGJVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-23(16(25)10-27-12-5-3-11(26-2)4-6-12)9-15(24)22-14-8-7-13(19)17(20)18(14)21/h3-8H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 382.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 7936390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).