methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate

C11H12FNO4 — CID 177218586

IUPACmethyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate
SMILESCOC(=O)c1c(F)cc(CO)cc1NC(C)=O
InChIInChI=1S/C11H12FNO4/c1-6(15)13-9-4-7(5-14)3-8(12)10(9)11(16)17-2/h3-4,14H,5H2,1-2H3,(H,13,15)
InChIKeyRIYBGIMHVSIAIF-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate

methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate (PubChem CID 177218586) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate
PubChem CID177218586
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate
SMILESCOC(=O)c1c(F)cc(CO)cc1NC(C)=O
InChIInChI=1S/C11H12FNO4/c1-6(15)13-9-4-7(5-14)3-8(12)10(9)11(16)17-2/h3-4,14H,5H2,1-2H3,(H,13,15)
InChIKeyRIYBGIMHVSIAIF-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-acetamido-2,3,6-trifluorobenzoate
CID 162354663
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
methyl 2,6-dichloro-4-(hydroxymethyl)benzoate
CID 66712920
methyl 2-acetamido-4-(iodooxymethyl)benzoate
CID 59363425
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391
methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]acetamide
CID 168944592
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-2,6-difluorobenzoic acid
CID 171238392
methyl 4-(dimethylamino)-2,6-difluorobenzoate
CID 66909134

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate?
The IUPAC name of methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate (CID 177218586) is methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate.
What is the SMILES notation for methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate?
The canonical SMILES for methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate is COC(=O)c1c(F)cc(CO)cc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate?
The InChIKey is RIYBGIMHVSIAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-6(15)13-9-4-7(5-14)3-8(12)10(9)11(16)17-2/h3-4,14H,5H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate?
methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate has a molecular weight of 241.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate is sourced from PubChem (CID 177218586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).