2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C21H28FN3O — CID 109000586

IUPAC2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C21H28FN3O/c1-4-25(5-2)19-10-11-20(16(3)14-19)24-15-21(26)23-13-12-17-6-8-18(22)9-7-17/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,23,26)
InChIKeyFMORWSBXHDIUOY-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.75
Rot. Bonds9

About 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 109000586) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID109000586
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C21H28FN3O/c1-4-25(5-2)19-10-11-20(16(3)14-19)24-15-21(26)23-13-12-17-6-8-18(22)9-7-17/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,23,26)
InChIKeyFMORWSBXHDIUOY-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
CID 108997011
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
CID 109000006
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 109000586) is 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CCN(CC)c1ccc(NCC(=O)NCCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is FMORWSBXHDIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-4-25(5-2)19-10-11-20(16(3)14-19)24-15-21(26)23-13-12-17-6-8-18(22)9-7-17/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 357.47 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 109000586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).