3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C11H14FNO3 — CID 60654478

IUPAC3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESO=C(NCCOCCO)c1cccc(F)c1
InChIInChI=1S/C11H14FNO3/c12-10-3-1-2-9(8-10)11(15)13-4-6-16-7-5-14/h1-3,8,14H,4-7H2,(H,13,15)
InChIKeyXLERBHNIKCTXFB-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.56
Rot. Bonds6

About 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide

3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 60654478) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID60654478
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESO=C(NCCOCCO)c1cccc(F)c1
InChIInChI=1S/C11H14FNO3/c12-10-3-1-2-9(8-10)11(15)13-4-6-16-7-5-14/h1-3,8,14H,4-7H2,(H,13,15)
InChIKeyXLERBHNIKCTXFB-UHFFFAOYSA-N
XLogP0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.56
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

3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
CID 110022218
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
CID 60747545
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 60654478) is 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide is O=C(NCCOCCO)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is XLERBHNIKCTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-10-3-1-2-9(8-10)11(15)13-4-6-16-7-5-14/h1-3,8,14H,4-7H2,(H,13,15).
What are the key properties of 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 227.23 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 60654478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).