2,3-difluoro-5-(2-hydroxyethyl)benzamide

C9H9F2NO2 — CID 70988144

IUPAC2,3-difluoro-5-(2-hydroxyethyl)benzamide
SMILESNC(=O)c1cc(CCO)cc(F)c1F
InChIInChI=1S/C9H9F2NO2/c10-7-4-5(1-2-13)3-6(8(7)11)9(12)14/h3-4,13H,1-2H2,(H2,12,14)
InChIKeyCLZFAKZRORJGHR-UHFFFAOYSA-N
MW201.17 g/mol
LogP0.60
Rot. Bonds3

About 2,3-difluoro-5-(2-hydroxyethyl)benzamide

2,3-difluoro-5-(2-hydroxyethyl)benzamide (PubChem CID 70988144) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2,3-difluoro-5-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-5-(2-hydroxyethyl)benzamide
PubChem CID70988144
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2,3-difluoro-5-(2-hydroxyethyl)benzamide
SMILESNC(=O)c1cc(CCO)cc(F)c1F
InChIInChI=1S/C9H9F2NO2/c10-7-4-5(1-2-13)3-6(8(7)11)9(12)14/h3-4,13H,1-2H2,(H2,12,14)
InChIKeyCLZFAKZRORJGHR-UHFFFAOYSA-N
XLogP0.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(2-hydroxyethyl)benzamide?
The IUPAC name of 2,3-difluoro-5-(2-hydroxyethyl)benzamide (CID 70988144) is 2,3-difluoro-5-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-5-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2,3-difluoro-5-(2-hydroxyethyl)benzamide is NC(=O)c1cc(CCO)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-(2-hydroxyethyl)benzamide?
The InChIKey is CLZFAKZRORJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-7-4-5(1-2-13)3-6(8(7)11)9(12)14/h3-4,13H,1-2H2,(H2,12,14).
What are the key properties of 2,3-difluoro-5-(2-hydroxyethyl)benzamide?
2,3-difluoro-5-(2-hydroxyethyl)benzamide has a molecular weight of 201.17 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 70988144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).