4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide

C12H17FN2O2 — CID 62335925

IUPAC4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
SMILESCCNCCOCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C12H17FN2O2/c1-2-15-5-6-17-8-10-4-3-9(12(14)16)7-11(10)13/h3-4,7,15H,2,5-6,8H2,1H3,(H2,14,16)
InChIKeyWFGZMPZYXMWUOL-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.05
Rot. Bonds7

About 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide

4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide (PubChem CID 62335925) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
PubChem CID62335925
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
SMILESCCNCCOCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C12H17FN2O2/c1-2-15-5-6-17-8-10-4-3-9(12(14)16)7-11(10)13/h3-4,7,15H,2,5-6,8H2,1H3,(H2,14,16)
InChIKeyWFGZMPZYXMWUOL-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide 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-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
CID 62341432
3-fluoro-4-(propoxymethyl)benzenecarbothioamide
CID 43248082
4-[3-(ethylamino)propylamino]-3-fluorobenzamide
CID 54906629
3-fluoro-4-(2-methoxyethoxymethyl)benzenecarbothioamide
CID 24706679
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
4-(2-aminoethoxymethyl)-3-methylbenzamide
CID 114484486
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
2-[2-(ethylamino)ethoxymethyl]-4-fluorobenzonitrile
CID 107906413
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
3-fluoro-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]benzamide
CID 43567385
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide?
The IUPAC name of 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide (CID 62335925) is 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide?
The canonical SMILES for 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide is CCNCCOCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide?
The InChIKey is WFGZMPZYXMWUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-15-5-6-17-8-10-4-3-9(12(14)16)7-11(10)13/h3-4,7,15H,2,5-6,8H2,1H3,(H2,14,16).
What are the key properties of 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide?
4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide is sourced from PubChem (CID 62335925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).