[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate

C17H16FNO3 — CID 7874560

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2)cc1F
InChIInChI=1S/C17H16FNO3/c1-12-7-8-14(10-15(12)18)19-16(20)11-22-17(21)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyZCUQLFHFMIQKPT-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.86
Rot. Bonds5

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 7874560) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID7874560
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2)cc1F
InChIInChI=1S/C17H16FNO3/c1-12-7-8-14(10-15(12)18)19-16(20)11-22-17(21)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,19,20)
InChIKeyZCUQLFHFMIQKPT-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758895
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7832893
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950680
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602784
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454502
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 2562809
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860713

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate (CID 7874560) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate is Cc1ccc(NC(=O)COC(=O)Cc2ccccc2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is ZCUQLFHFMIQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12-7-8-14(10-15(12)18)19-16(20)11-22-17(21)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,19,20).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 301.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 7874560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).