methyl 3-fluoro-5-formamido-4-methoxybenzoate

C10H10FNO4 — CID 168652166

IUPACmethyl 3-fluoro-5-formamido-4-methoxybenzoate
SMILESCOC(=O)c1cc(F)c(OC)c(NC=O)c1
InChIInChI=1S/C10H10FNO4/c1-15-9-7(11)3-6(10(14)16-2)4-8(9)12-5-13/h3-5H,1-2H3,(H,12,13)
InChIKeyZYEXKSZAJAUVDZ-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.19
Rot. Bonds4

About methyl 3-fluoro-5-formamido-4-methoxybenzoate

methyl 3-fluoro-5-formamido-4-methoxybenzoate (PubChem CID 168652166) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is methyl 3-fluoro-5-formamido-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-formamido-4-methoxybenzoate
PubChem CID168652166
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Namemethyl 3-fluoro-5-formamido-4-methoxybenzoate
SMILESCOC(=O)c1cc(F)c(OC)c(NC=O)c1
InChIInChI=1S/C10H10FNO4/c1-15-9-7(11)3-6(10(14)16-2)4-8(9)12-5-13/h3-5H,1-2H3,(H,12,13)
InChIKeyZYEXKSZAJAUVDZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,3-dihydroxypropylamino)-5-fluoro-4-methoxybenzoate
CID 168594828
methyl 3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-5-fluoro-4-methoxybenzoate
CID 169345882
methyl 4-(difluoromethoxy)-3,5-difluorobenzoate
CID 134648316
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
methyl 4-bromo-3-formamidobenzoate
CID 122687075
methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate
CID 169335186
methyl 4-formamido-3,5-dimethylbenzoate
CID 134546996
methyl 4-formamido-3-hydroxybenzoate
CID 91622889
methyl 3-fluoro-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-4-methoxybenzoate
CID 168557897
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
methyl 3-chloro-5-fluoro-4-formylbenzoate
CID 170315279
methyl 4-butoxy-3,5-difluorobenzoate
CID 118685930

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-formamido-4-methoxybenzoate?
The IUPAC name of methyl 3-fluoro-5-formamido-4-methoxybenzoate (CID 168652166) is methyl 3-fluoro-5-formamido-4-methoxybenzoate.
What is the SMILES notation for methyl 3-fluoro-5-formamido-4-methoxybenzoate?
The canonical SMILES for methyl 3-fluoro-5-formamido-4-methoxybenzoate is COC(=O)c1cc(F)c(OC)c(NC=O)c1.
What is the InChIKey of methyl 3-fluoro-5-formamido-4-methoxybenzoate?
The InChIKey is ZYEXKSZAJAUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-15-9-7(11)3-6(10(14)16-2)4-8(9)12-5-13/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl 3-fluoro-5-formamido-4-methoxybenzoate?
methyl 3-fluoro-5-formamido-4-methoxybenzoate has a molecular weight of 227.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-formamido-4-methoxybenzoate is sourced from PubChem (CID 168652166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).