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

C11H15FN2O2 — CID 175851417

IUPAC3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
SMILESO=C(NCCNCCO)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O2/c12-10-3-1-2-9(8-10)11(16)14-5-4-13-6-7-15/h1-3,8,13,15H,4-7H2,(H,14,16)
InChIKeyHRMIYNWERACIQP-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.14
Rot. Bonds6

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

3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide (PubChem CID 175851417) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
PubChem CID175851417
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
SMILESO=C(NCCNCCO)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O2/c12-10-3-1-2-9(8-10)11(16)14-5-4-13-6-7-15/h1-3,8,13,15H,4-7H2,(H,14,16)
InChIKeyHRMIYNWERACIQP-UHFFFAOYSA-N
XLogP0.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
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-hydroxyethoxy)ethyl]benzamide
CID 60654478
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
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N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
CID 110716408
3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574693

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide (CID 175851417) is 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide is O=C(NCCNCCO)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
The InChIKey is HRMIYNWERACIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-10-3-1-2-9(8-10)11(16)14-5-4-13-6-7-15/h1-3,8,13,15H,4-7H2,(H,14,16).
What are the key properties of 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide has a molecular weight of 226.25 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide is sourced from PubChem (CID 175851417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).