N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide

C13H16FNO3 — CID 94270193

IUPACN-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
SMILESCOc1ccc(F)cc1C(=O)CNC(=O)C(C)C
InChIInChI=1S/C13H16FNO3/c1-8(2)13(17)15-7-11(16)10-6-9(14)4-5-12(10)18-3/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyACUKBYYUNGEMDJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide

N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide (PubChem CID 94270193) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
PubChem CID94270193
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
SMILESCOc1ccc(F)cc1C(=O)CNC(=O)C(C)C
InChIInChI=1S/C13H16FNO3/c1-8(2)13(17)15-7-11(16)10-6-9(14)4-5-12(10)18-3/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyACUKBYYUNGEMDJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide
CID 94278155
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide (CID 94270193) is N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide is COc1ccc(F)cc1C(=O)CNC(=O)C(C)C.
What is the InChIKey of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is ACUKBYYUNGEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(2)13(17)15-7-11(16)10-6-9(14)4-5-12(10)18-3/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 94270193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).