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

C18H17F3N2O3 — CID 24982627

IUPAC2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11-3-5-12(6-4-11)26-10-16(25)23(2)9-15(24)22-14-8-7-13(19)17(20)18(14)21/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyPRVSGAFUIUMQGK-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.89
Rot. Bonds6

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

2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 24982627) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID24982627
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11-3-5-12(6-4-11)26-10-16(25)23(2)9-15(24)22-14-8-7-13(19)17(20)18(14)21/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyPRVSGAFUIUMQGK-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 24982627) is 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is PRVSGAFUIUMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-3-5-12(6-4-11)26-10-16(25)23(2)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-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 366.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 24982627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).