methyl 2-acetamido-5-fluorobenzoate

C10H10FNO3 — CID 60786102

IUPACmethyl 2-acetamido-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC(C)=O
InChIInChI=1S/C10H10FNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyWHLTZYUFEXBAQS-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.57
Rot. Bonds2

About methyl 2-acetamido-5-fluorobenzoate

methyl 2-acetamido-5-fluorobenzoate (PubChem CID 60786102) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is methyl 2-acetamido-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-fluorobenzoate
PubChem CID60786102
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Namemethyl 2-acetamido-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC(C)=O
InChIInChI=1S/C10H10FNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyWHLTZYUFEXBAQS-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953
4-(4-fluoro-2-methoxycarbonylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993126
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
methyl 5-fluoro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196610
methyl 2-(4-chlorobutanoylamino)-5-fluorobenzoate
CID 63307711
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 2-acetamido-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]benzoate
CID 137333605
methyl 2-[(1-aminocyclobutanecarbonyl)amino]-5-fluorobenzoate
CID 81179732
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
methyl 2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoate
CID 115452631
5-(4-fluoro-2-methoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 62965928

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-fluorobenzoate?
The IUPAC name of methyl 2-acetamido-5-fluorobenzoate (CID 60786102) is methyl 2-acetamido-5-fluorobenzoate.
What is the SMILES notation for methyl 2-acetamido-5-fluorobenzoate?
The canonical SMILES for methyl 2-acetamido-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-5-fluorobenzoate?
The InChIKey is WHLTZYUFEXBAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl 2-acetamido-5-fluorobenzoate?
methyl 2-acetamido-5-fluorobenzoate has a molecular weight of 211.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-fluorobenzoate is sourced from PubChem (CID 60786102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).