3-fluoro-2-formamido-4,5-dimethoxybenzamide

C10H11FN2O4 — CID 168652260

IUPAC3-fluoro-2-formamido-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(NC=O)c(F)c1OC
InChIInChI=1S/C10H11FN2O4/c1-16-6-3-5(10(12)15)8(13-4-14)7(11)9(6)17-2/h3-4H,1-2H3,(H2,12,15)(H,13,14)
InChIKeyXTSGKLSLIQMLKK-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.51
Rot. Bonds5

About 3-fluoro-2-formamido-4,5-dimethoxybenzamide

3-fluoro-2-formamido-4,5-dimethoxybenzamide (PubChem CID 168652260) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-fluoro-2-formamido-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-fluoro-2-formamido-4,5-dimethoxybenzamide
PubChem CID168652260
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name3-fluoro-2-formamido-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(NC=O)c(F)c1OC
InChIInChI=1S/C10H11FN2O4/c1-16-6-3-5(10(12)15)8(13-4-14)7(11)9(6)17-2/h3-4H,1-2H3,(H2,12,15)(H,13,14)
InChIKeyXTSGKLSLIQMLKK-UHFFFAOYSA-N
XLogP0.51
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-formamido-4,5-dimethoxybenzamide?
The IUPAC name of 3-fluoro-2-formamido-4,5-dimethoxybenzamide (CID 168652260) is 3-fluoro-2-formamido-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-fluoro-2-formamido-4,5-dimethoxybenzamide?
The canonical SMILES for 3-fluoro-2-formamido-4,5-dimethoxybenzamide is COc1cc(C(N)=O)c(NC=O)c(F)c1OC.
What is the InChIKey of 3-fluoro-2-formamido-4,5-dimethoxybenzamide?
The InChIKey is XTSGKLSLIQMLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-16-6-3-5(10(12)15)8(13-4-14)7(11)9(6)17-2/h3-4H,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 3-fluoro-2-formamido-4,5-dimethoxybenzamide?
3-fluoro-2-formamido-4,5-dimethoxybenzamide has a molecular weight of 242.21 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-formamido-4,5-dimethoxybenzamide is sourced from PubChem (CID 168652260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).