5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide

C12H16FNO4 — CID 114242556

IUPAC5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOCCO)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H16FNO4/c1-14(4-6-18-7-5-15)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyOSOHPKGGMQBUNT-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.61
Rot. Bonds6

About 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide

5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide (PubChem CID 114242556) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
PubChem CID114242556
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOCCO)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H16FNO4/c1-14(4-6-18-7-5-15)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyOSOHPKGGMQBUNT-UHFFFAOYSA-N
XLogP0.61
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide (CID 114242556) is 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide is CN(CCOCCO)C(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide?
The InChIKey is OSOHPKGGMQBUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-14(4-6-18-7-5-15)12(17)10-8-9(13)2-3-11(10)16/h2-3,8,15-16H,4-7H2,1H3.
What are the key properties of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide?
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide has a molecular weight of 257.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 114242556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).