2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride

C13H20ClFN2O2 — CID 119505079

IUPAC2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cccc(F)c1OCC.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-15-8-9-16-13(17)10-6-5-7-11(14)12(10)18-4-2;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
InChIKeyOVUFCEORZQTZAP-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.99
Rot. Bonds7

About 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride

2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride (PubChem CID 119505079) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
PubChem CID119505079
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cccc(F)c1OCC.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-15-8-9-16-13(17)10-6-5-7-11(14)12(10)18-4-2;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
InChIKeyOVUFCEORZQTZAP-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethoxy-3-fluorobenzoyl)amino]butanoic acid
CID 119170570
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
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N-[2-(benzenesulfinyl)ethyl]-2-ethoxy-3-fluorobenzamide
CID 71994782
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676191
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
4-[4-[[(2-ethoxy-3-fluorobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247043
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride (CID 119505079) is 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride is CCNCCNC(=O)c1cccc(F)c1OCC.Cl.
What is the InChIKey of 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride?
The InChIKey is OVUFCEORZQTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-3-15-8-9-16-13(17)10-6-5-7-11(14)12(10)18-4-2;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride?
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119505079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).