N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C17H19FN2O4 — CID 51178406

IUPACN-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C17H19FN2O4/c1-22-14-8-13(9-15(23-2)17(14)24-3)19-10-16(21)20-12-6-4-5-11(18)7-12/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyVUQFESOSZLWNKA-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.90
Rot. Bonds7

About N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 51178406) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID51178406
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC NameN-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C17H19FN2O4/c1-22-14-8-13(9-15(23-2)17(14)24-3)19-10-16(21)20-12-6-4-5-11(18)7-12/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyVUQFESOSZLWNKA-UHFFFAOYSA-N
XLogP2.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)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-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 61061796
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008378
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475
1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983639
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 51178406) is N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2cccc(F)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is VUQFESOSZLWNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-22-14-8-13(9-15(23-2)17(14)24-3)19-10-16(21)20-12-6-4-5-11(18)7-12/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 51178406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).