2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H23FN2O2 — CID 113168862

IUPAC2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(C)c1C
InChIInChI=1S/C20H23FN2O2/c1-14-5-4-6-19(15(14)2)23(16(3)24)13-20(25)22-12-11-17-7-9-18(21)10-8-17/h4-10H,11-13H2,1-3H3,(H,22,25)
InChIKeyONTMIQPUONOIKQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.15
Rot. Bonds6

About 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 113168862) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID113168862
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(C)c1C
InChIInChI=1S/C20H23FN2O2/c1-14-5-4-6-19(15(14)2)23(16(3)24)13-20(25)22-12-11-17-7-9-18(21)10-8-17/h4-10H,11-13H2,1-3H3,(H,22,25)
InChIKeyONTMIQPUONOIKQ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[acetyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176078
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113181784
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113166097
2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113169007
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113069117

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 113168862) is 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(C)c1C.
What is the InChIKey of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is ONTMIQPUONOIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-5-4-6-19(15(14)2)23(16(3)24)13-20(25)22-12-11-17-7-9-18(21)10-8-17/h4-10H,11-13H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113168862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).