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

C18H19FN2O2 — CID 113168349

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-12-4-9-17(10-13(12)2)21(14(3)22)11-18(23)20-16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyZLJZAWGWJBSADZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.43
Rot. Bonds4

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

2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 113168349) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID113168349
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-12-4-9-17(10-13(12)2)21(14(3)22)11-18(23)20-16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyZLJZAWGWJBSADZ-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-(N-acetyl-3,4-dimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113168414
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide (CID 113168349) is 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is ZLJZAWGWJBSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-4-9-17(10-13(12)2)21(14(3)22)11-18(23)20-16-7-5-15(19)6-8-16/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113168349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).