2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H15F3N2O2 — CID 109009101

IUPAC2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2/c1-23-12-8-6-11(7-9-12)20-10-15(22)21-14-5-3-2-4-13(14)16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyHYBCIEMUENYHDB-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 109009101) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID109009101
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2/c1-23-12-8-6-11(7-9-12)20-10-15(22)21-14-5-3-2-4-13(14)16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyHYBCIEMUENYHDB-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1151121
2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077742
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 109009101) is 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HYBCIEMUENYHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-23-12-8-6-11(7-9-12)20-10-15(22)21-14-5-3-2-4-13(14)16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22).
What are the key properties of 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109009101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).