2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide

C16H16FNO2 — CID 2225978

IUPAC2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-12-6-8-13(9-7-12)20-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyRMUDTIIMLBCBIT-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.94
Rot. Bonds5

About 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide

2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 2225978) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID2225978
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-12-6-8-13(9-7-12)20-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyRMUDTIIMLBCBIT-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 2225978) is 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is RMUDTIIMLBCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-6-8-13(9-7-12)20-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2225978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).