5-fluoro-N-methoxy-N,2,4-trimethylbenzamide

C11H14FNO2 — CID 89047148

IUPAC5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
SMILESCON(C)C(=O)c1cc(F)c(C)cc1C
InChIInChI=1S/C11H14FNO2/c1-7-5-8(2)10(12)6-9(7)11(14)13(3)15-4/h5-6H,1-4H3
InChIKeyORNJRFZYUKXNEQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.08
Rot. Bonds2

About 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide

5-fluoro-N-methoxy-N,2,4-trimethylbenzamide (PubChem CID 89047148) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
PubChem CID89047148
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
SMILESCON(C)C(=O)c1cc(F)c(C)cc1C
InChIInChI=1S/C11H14FNO2/c1-7-5-8(2)10(12)6-9(7)11(14)13(3)15-4/h5-6H,1-4H3
InChIKeyORNJRFZYUKXNEQ-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide?
The IUPAC name of 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide (CID 89047148) is 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide.
What is the SMILES notation for 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide?
The canonical SMILES for 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide is CON(C)C(=O)c1cc(F)c(C)cc1C.
What is the InChIKey of 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide?
The InChIKey is ORNJRFZYUKXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-5-8(2)10(12)6-9(7)11(14)13(3)15-4/h5-6H,1-4H3.
What are the key properties of 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide?
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide has a molecular weight of 211.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methoxy-N,2,4-trimethylbenzamide is sourced from PubChem (CID 89047148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).