2-acetamido-6-fluorobenzoate

C9H7FNO3- — CID 6933649

IUPAC2-acetamido-6-fluorobenzoate
SMILESCC(=O)Nc1cccc(F)c1C(=O)[O-]
InChIInChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyIWTHKNXLQDASPO-UHFFFAOYSA-M
MW196.16 g/mol
LogP0.15
Rot. Bonds2

About 2-acetamido-6-fluorobenzoate

2-acetamido-6-fluorobenzoate (PubChem CID 6933649) has the molecular formula C9H7FNO3- and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-acetamido-6-fluorobenzoate.

Molecular Properties

Compound Name2-acetamido-6-fluorobenzoate
PubChem CID6933649
Molecular FormulaC9H7FNO3-
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2-acetamido-6-fluorobenzoate
SMILESCC(=O)Nc1cccc(F)c1C(=O)[O-]
InChIInChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyIWTHKNXLQDASPO-UHFFFAOYSA-M
XLogP0.15
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(carboxylatomethylsulfanyl)acetyl]amino]-6-fluorobenzoate
CID 6926775
2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate
CID 6933601
N-acetyl-2,6-difluorobenzamide
CID 2805165
2-(2-acetamidopropanoylamino)-6-fluorobenzoic acid
CID 43442727
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
sodium 2-acetamidobenzoate
CID 23702638
2-acetamido-6-methylbenzoic acid
CID 2801400
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-fluorobenzoate?
The IUPAC name of 2-acetamido-6-fluorobenzoate (CID 6933649) is 2-acetamido-6-fluorobenzoate.
What is the SMILES notation for 2-acetamido-6-fluorobenzoate?
The canonical SMILES for 2-acetamido-6-fluorobenzoate is CC(=O)Nc1cccc(F)c1C(=O)[O-].
What is the InChIKey of 2-acetamido-6-fluorobenzoate?
The InChIKey is IWTHKNXLQDASPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-acetamido-6-fluorobenzoate?
2-acetamido-6-fluorobenzoate has a molecular weight of 196.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-fluorobenzoate is sourced from PubChem (CID 6933649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).