3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide

C16H15F2NO2 — CID 134044702

IUPAC3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO2/c1-19(16(20)12-5-4-6-13(17)11-12)9-10-21-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3
InChIKeyCPKOVTHQAGTQJO-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.12
Rot. Bonds5

About 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide

3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (PubChem CID 134044702) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
PubChem CID134044702
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO2/c1-19(16(20)12-5-4-6-13(17)11-12)9-10-21-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3
InChIKeyCPKOVTHQAGTQJO-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26960552

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (CID 134044702) is 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is CN(CCOc1ccccc1F)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The InChIKey is CPKOVTHQAGTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-19(16(20)12-5-4-6-13(17)11-12)9-10-21-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 134044702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).