2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide

C13H16F4N2O2 — CID 82991096

IUPAC2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
SMILESCOCCNCCNC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O2/c1-21-7-6-18-4-5-19-12(20)10-8-9(13(15,16)17)2-3-11(10)14/h2-3,8,18H,4-7H2,1H3,(H,19,20)
InChIKeyVLPFLHVYGXPSRI-UHFFFAOYSA-N
MW308.27 g/mol
LogP1.81
Rot. Bonds7

About 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide

2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 82991096) has the molecular formula C13H16F4N2O2 and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
PubChem CID82991096
Molecular FormulaC13H16F4N2O2
Molecular Weight308.27 g/mol
Exact Mass308.11
IUPAC Name2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
SMILESCOCCNCCNC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O2/c1-21-7-6-18-4-5-19-12(20)10-8-9(13(15,16)17)2-3-11(10)14/h2-3,8,18H,4-7H2,1H3,(H,19,20)
InChIKeyVLPFLHVYGXPSRI-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-[2-(2-chloroethoxy)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 114297513
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide (CID 82991096) is 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide is COCCNCCNC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is VLPFLHVYGXPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2/c1-21-7-6-18-4-5-19-12(20)10-8-9(13(15,16)17)2-3-11(10)14/h2-3,8,18H,4-7H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 308.27 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 82991096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).