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

C10H12FNO2 — CID 62511184

IUPAC2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCO)c1
InChIInChI=1S/C10H12FNO2/c1-7-2-3-9(11)8(6-7)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyACMFAFIBNISMOE-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.86
Rot. Bonds3

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

2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide (PubChem CID 62511184) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
PubChem CID62511184
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCO)c1
InChIInChI=1S/C10H12FNO2/c1-7-2-3-9(11)8(6-7)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyACMFAFIBNISMOE-UHFFFAOYSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide (CID 62511184) is 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCCO)c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide?
The InChIKey is ACMFAFIBNISMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7-2-3-9(11)8(6-7)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide?
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide has a molecular weight of 197.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide is sourced from PubChem (CID 62511184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).