3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide

C17H19FN2O2 — CID 82070377

IUPAC3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C17H19FN2O2/c1-2-22-16-8-5-13(11-15(16)19)17(21)20-10-9-12-3-6-14(18)7-4-12/h3-8,11H,2,9-10,19H2,1H3,(H,20,21)
InChIKeyYUSJNUJGBUVOKI-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.78
Rot. Bonds6

About 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide

3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 82070377) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID82070377
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C17H19FN2O2/c1-2-22-16-8-5-13(11-15(16)19)17(21)20-10-9-12-3-6-14(18)7-4-12/h3-8,11H,2,9-10,19H2,1H3,(H,20,21)
InChIKeyYUSJNUJGBUVOKI-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]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

4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 119548952
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103818
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 82070377) is 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is YUSJNUJGBUVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-22-16-8-5-13(11-15(16)19)17(21)20-10-9-12-3-6-14(18)7-4-12/h3-8,11H,2,9-10,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide?
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 82070377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).