2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C18H17F3N2O3 — CID 7809229

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1
InChIInChI=1S/C18H17F3N2O3/c1-10-3-6-14(11(2)7-10)26-9-16(25)22-8-15(24)23-13-5-4-12(19)17(20)18(13)21/h3-7H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQKFSWNBAVJEOBK-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.85
Rot. Bonds6

About 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 7809229) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID7809229
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1
InChIInChI=1S/C18H17F3N2O3/c1-10-3-6-14(11(2)7-10)26-9-16(25)22-8-15(24)23-13-5-4-12(19)17(20)18(13)21/h3-7H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQKFSWNBAVJEOBK-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8562673
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4839539
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7601440
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2,4-dimethylbenzoate
CID 6915116

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 7809229) is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QKFSWNBAVJEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-10-3-6-14(11(2)7-10)26-9-16(25)22-8-15(24)23-13-5-4-12(19)17(20)18(13)21/h3-7H,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 366.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 7809229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).