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

C16H17FN2O2 — CID 60936955

IUPAC3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17FN2O2/c1-19(16(20)12-5-4-6-13(18)11-12)9-10-21-15-8-3-2-7-14(15)17/h2-8,11H,9-10,18H2,1H3
InChIKeyFTDKFUGHBMBPCB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.56
Rot. Bonds5

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

3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (PubChem CID 60936955) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
PubChem CID60936955
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17FN2O2/c1-19(16(20)12-5-4-6-13(18)11-12)9-10-21-15-8-3-2-7-14(15)17/h2-8,11H,9-10,18H2,1H3
InChIKeyFTDKFUGHBMBPCB-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
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
3-amino-N-methyl-N-propylbenzamide
CID 43270761
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (CID 60936955) is 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is CN(CCOc1ccccc1F)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The InChIKey is FTDKFUGHBMBPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(16(20)12-5-4-6-13(18)11-12)9-10-21-15-8-3-2-7-14(15)17/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 60936955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).