N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

C18H19FN2O2 — CID 2468313

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-21(18(23)12-7-14-5-3-2-4-6-14)13-17(22)20-16-10-8-15(19)9-11-16/h2-6,8-11H,7,12-13H2,1H3,(H,20,22)
InChIKeyOLGDBEUOZOLWNE-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (PubChem CID 2468313) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
PubChem CID2468313
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-21(18(23)12-7-14-5-3-2-4-6-14)13-17(22)20-16-10-8-15(19)9-11-16/h2-6,8-11H,7,12-13H2,1H3,(H,20,22)
InChIKeyOLGDBEUOZOLWNE-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (CID 2468313) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is OLGDBEUOZOLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-21(18(23)12-7-14-5-3-2-4-6-14)13-17(22)20-16-10-8-15(19)9-11-16/h2-6,8-11H,7,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 314.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 2468313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).