methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate

C12H14FNO3 — CID 82535437

IUPACmethyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(C(C)=O)ccc1F
InChIInChI=1S/C12H14FNO3/c1-8(15)9-4-5-10(13)11(6-9)14(2)7-12(16)17-3/h4-6H,7H2,1-3H3
InChIKeyHPFHORAEYIHMNZ-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.64
Rot. Bonds4

About methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate

methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate (PubChem CID 82535437) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate
PubChem CID82535437
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(C(C)=O)ccc1F
InChIInChI=1S/C12H14FNO3/c1-8(15)9-4-5-10(13)11(6-9)14(2)7-12(16)17-3/h4-6H,7H2,1-3H3
InChIKeyHPFHORAEYIHMNZ-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-chloro-2-fluoro-N-methylanilino)butanoate
CID 115233388
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-(2-fluoro-5-methoxy-N-methyl-4-nitroanilino)acetate
CID 107260625
methyl 3-[4-acetyl-2-fluoro-N-(2-methoxyethyl)anilino]propanoate
CID 115538096
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
CID 61067990
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate?
The IUPAC name of methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate (CID 82535437) is methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate.
What is the SMILES notation for methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate?
The canonical SMILES for methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate is COC(=O)CN(C)c1cc(C(C)=O)ccc1F.
What is the InChIKey of methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate?
The InChIKey is HPFHORAEYIHMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(15)9-4-5-10(13)11(6-9)14(2)7-12(16)17-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate?
methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate has a molecular weight of 239.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-acetyl-2-fluoro-N-methylanilino)acetate is sourced from PubChem (CID 82535437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).