2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide

C17H17FN2O2 — CID 113170925

IUPAC2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-13(21)20(16-9-7-15(18)8-10-16)12-17(22)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZYUPWIAUOLXEJP-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.49
Rot. Bonds5

About 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide

2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide (PubChem CID 113170925) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
PubChem CID113170925
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-13(21)20(16-9-7-15(18)8-10-16)12-17(22)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZYUPWIAUOLXEJP-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1449926
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide?
The IUPAC name of 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide (CID 113170925) is 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide?
The canonical SMILES for 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide is CC(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide?
The InChIKey is ZYUPWIAUOLXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-13(21)20(16-9-7-15(18)8-10-16)12-17(22)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide?
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide has a molecular weight of 300.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide is sourced from PubChem (CID 113170925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).