5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide

C11H14FNO2 — CID 60706402

IUPAC5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)CCO
InChIInChI=1S/C11H14FNO2/c1-8-3-4-9(12)7-10(8)11(15)13(2)5-6-14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJKHNJAQPUXSBKA-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.20
Rot. Bonds3

About 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide

5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide (PubChem CID 60706402) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
PubChem CID60706402
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)CCO
InChIInChI=1S/C11H14FNO2/c1-8-3-4-9(12)7-10(8)11(15)13(2)5-6-14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJKHNJAQPUXSBKA-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107023651
N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide
CID 63049825
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide (CID 60706402) is 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide is Cc1ccc(F)cc1C(=O)N(C)CCO.
What is the InChIKey of 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide?
The InChIKey is JKHNJAQPUXSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-3-4-9(12)7-10(8)11(15)13(2)5-6-14/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide?
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide has a molecular weight of 211.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 60706402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).