4-cyano-3-fluoro-5-methoxy-2-methylbenzamide

C10H9FN2O2 — CID 90095356

IUPAC4-cyano-3-fluoro-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)c(F)c1C#N
InChIInChI=1S/C10H9FN2O2/c1-5-6(10(13)14)3-8(15-2)7(4-12)9(5)11/h3H,1-2H3,(H2,13,14)
InChIKeyKEPCMLKOLXSCFA-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.11
Rot. Bonds2

About 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide

4-cyano-3-fluoro-5-methoxy-2-methylbenzamide (PubChem CID 90095356) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name4-cyano-3-fluoro-5-methoxy-2-methylbenzamide
PubChem CID90095356
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-cyano-3-fluoro-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)c(F)c1C#N
InChIInChI=1S/C10H9FN2O2/c1-5-6(10(13)14)3-8(15-2)7(4-12)9(5)11/h3H,1-2H3,(H2,13,14)
InChIKeyKEPCMLKOLXSCFA-UHFFFAOYSA-N
XLogP1.11
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide?
The IUPAC name of 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide (CID 90095356) is 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide.
What is the SMILES notation for 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide?
The canonical SMILES for 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide is COc1cc(C(N)=O)c(C)c(F)c1C#N.
What is the InChIKey of 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide?
The InChIKey is KEPCMLKOLXSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-6(10(13)14)3-8(15-2)7(4-12)9(5)11/h3H,1-2H3,(H2,13,14).
What are the key properties of 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide?
4-cyano-3-fluoro-5-methoxy-2-methylbenzamide has a molecular weight of 208.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluoro-5-methoxy-2-methylbenzamide is sourced from PubChem (CID 90095356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).