N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide

C17H16FNO3 — CID 110661712

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO3/c1-12-3-2-4-15(9-12)22-11-17(21)19-10-16(20)13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyJFJHWPLSFMJXQF-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 110661712) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
PubChem CID110661712
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO3/c1-12-3-2-4-15(9-12)22-11-17(21)19-10-16(20)13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyJFJHWPLSFMJXQF-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8911027
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
1-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 968340
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16866920
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
CID 110670410
(3-methylphenyl) 2-[[2-(4-methylphenoxy)acetyl]amino]acetate
CID 110670431
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(3-methylphenyl) 2-[3-(4-fluorophenyl)propanoylamino]acetate
CID 110670442

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide (CID 110661712) is N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is JFJHWPLSFMJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12-3-2-4-15(9-12)22-11-17(21)19-10-16(20)13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110661712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).