5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide

C11H14FNO3 — CID 110886002

IUPAC5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)CCO
InChIInChI=1S/C11H14FNO3/c1-13(5-6-14)11(15)9-7-8(12)3-4-10(9)16-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyZIQIKYZWIVXOSA-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.90
Rot. Bonds4

About 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide

5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide (PubChem CID 110886002) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
PubChem CID110886002
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)CCO
InChIInChI=1S/C11H14FNO3/c1-13(5-6-14)11(15)9-7-8(12)3-4-10(9)16-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyZIQIKYZWIVXOSA-UHFFFAOYSA-N
XLogP0.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
CID 115272625
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 113468792
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide (CID 110886002) is 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide is COc1ccc(F)cc1C(=O)N(C)CCO.
What is the InChIKey of 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide?
The InChIKey is ZIQIKYZWIVXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-13(5-6-14)11(15)9-7-8(12)3-4-10(9)16-2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide?
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide has a molecular weight of 227.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 110886002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).