2-ethoxy-3-fluoro-N,N-dimethylbenzamide

C11H14FNO2 — CID 84584900

IUPAC2-ethoxy-3-fluoro-N,N-dimethylbenzamide
SMILESCCOc1c(F)cccc1C(=O)N(C)C
InChIInChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKeyBFFKGZZBXHSQPZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.93
Rot. Bonds3

About 2-ethoxy-3-fluoro-N,N-dimethylbenzamide

2-ethoxy-3-fluoro-N,N-dimethylbenzamide (PubChem CID 84584900) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-ethoxy-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-ethoxy-3-fluoro-N,N-dimethylbenzamide
PubChem CID84584900
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-ethoxy-3-fluoro-N,N-dimethylbenzamide
SMILESCCOc1c(F)cccc1C(=O)N(C)C
InChIInChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKeyBFFKGZZBXHSQPZ-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-ethoxy-3-fluoro-N,N-dimethylbenzamide (CID 84584900) is 2-ethoxy-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-ethoxy-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-ethoxy-3-fluoro-N,N-dimethylbenzamide is CCOc1c(F)cccc1C(=O)N(C)C.
What is the InChIKey of 2-ethoxy-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is BFFKGZZBXHSQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethoxy-3-fluoro-N,N-dimethylbenzamide?
2-ethoxy-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 211.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 84584900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).