2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C21H26FN3O2 — CID 36856140

IUPAC2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(Cc1ccccc1NCC(=O)NCCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C21H26FN3O2/c1-3-25(16(2)26)15-18-6-4-5-7-20(18)24-14-21(27)23-13-12-17-8-10-19(22)11-9-17/h4-11,24H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyQNBWBUNUPQBYMI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.96
Rot. Bonds9

About 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 36856140) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID36856140
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(Cc1ccccc1NCC(=O)NCCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C21H26FN3O2/c1-3-25(16(2)26)15-18-6-4-5-7-20(18)24-14-21(27)23-13-12-17-8-10-19(22)11-9-17/h4-11,24H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyQNBWBUNUPQBYMI-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 86826316
N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 47062885
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide
CID 71913720
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 36856140) is 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CCN(Cc1ccccc1NCC(=O)NCCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is QNBWBUNUPQBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-3-25(16(2)26)15-18-6-4-5-7-20(18)24-14-21(27)23-13-12-17-8-10-19(22)11-9-17/h4-11,24H,3,12-15H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 36856140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).