N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide

C19H21FN2O2 — CID 113057339

IUPACN-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C19H21FN2O2/c1-14-6-3-4-9-18(14)22(15(2)23)11-10-21-19(24)13-16-7-5-8-17(20)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyYBXYQPXDXVWVEX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide

N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113057339) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113057339
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C19H21FN2O2/c1-14-6-3-4-9-18(14)22(15(2)23)11-10-21-19(24)13-16-7-5-8-17(20)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyYBXYQPXDXVWVEX-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
methyl 2-[acetyl-[2-[[2-(3-methylphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061916
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide (CID 113057339) is N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccccc1C.
What is the InChIKey of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is YBXYQPXDXVWVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-6-3-4-9-18(14)22(15(2)23)11-10-21-19(24)13-16-7-5-8-17(20)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113057339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).