[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate

C20H20FNO4 — CID 9381401

IUPAC[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
SMILESCC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H20FNO4/c1-12-4-5-17(10-18(12)21)20(25)26-11-19(24)16-8-6-15(7-9-16)13(2)22-14(3)23/h4-10,13H,11H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyGFYBJPUFKGBKFA-CYBMUJFWSA-N
MW357.38 g/mol
LogP3.37
Rot. Bonds6

About [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate

[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate (PubChem CID 9381401) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
PubChem CID9381401
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
SMILESCC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H20FNO4/c1-12-4-5-17(10-18(12)21)20(25)26-11-19(24)16-8-6-15(7-9-16)13(2)22-14(3)23/h4-10,13H,11H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyGFYBJPUFKGBKFA-CYBMUJFWSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate with MolForge

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Related Compounds

[2-[4-(1-acetamidoethyl)phenyl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 47013909
[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 9478773
N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide
CID 31804797
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386942
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387151
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387168
[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708822
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387032
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-fluoro-4-methylbenzoate
CID 9386955
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 27981740
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387105

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The IUPAC name of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate (CID 9381401) is [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate.
What is the SMILES notation for [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The canonical SMILES for [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate is CC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The InChIKey is GFYBJPUFKGBKFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-12-4-5-17(10-18(12)21)20(25)26-11-19(24)16-8-6-15(7-9-16)13(2)22-14(3)23/h4-10,13H,11H2,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate has a molecular weight of 357.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate is sourced from PubChem (CID 9381401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).