2,4-bis(2-fluoro-2-hydroxyethyl)benzamide

C11H13F2NO3 — CID 57042244

IUPAC2,4-bis(2-fluoro-2-hydroxyethyl)benzamide
SMILESNC(=O)c1ccc(CC(O)F)cc1CC(O)F
InChIInChI=1S/C11H13F2NO3/c12-9(15)4-6-1-2-8(11(14)17)7(3-6)5-10(13)16/h1-3,9-10,15-16H,4-5H2,(H2,14,17)
InChIKeyHHFAMJAJNKLIOA-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.45
Rot. Bonds5

About 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide

2,4-bis(2-fluoro-2-hydroxyethyl)benzamide (PubChem CID 57042244) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2,4-bis(2-fluoro-2-hydroxyethyl)benzamide
PubChem CID57042244
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name2,4-bis(2-fluoro-2-hydroxyethyl)benzamide
SMILESNC(=O)c1ccc(CC(O)F)cc1CC(O)F
InChIInChI=1S/C11H13F2NO3/c12-9(15)4-6-1-2-8(11(14)17)7(3-6)5-10(13)16/h1-3,9-10,15-16H,4-5H2,(H2,14,17)
InChIKeyHHFAMJAJNKLIOA-UHFFFAOYSA-N
XLogP0.45
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide?
The IUPAC name of 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide (CID 57042244) is 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide.
What is the SMILES notation for 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide?
The canonical SMILES for 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide is NC(=O)c1ccc(CC(O)F)cc1CC(O)F.
What is the InChIKey of 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide?
The InChIKey is HHFAMJAJNKLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c12-9(15)4-6-1-2-8(11(14)17)7(3-6)5-10(13)16/h1-3,9-10,15-16H,4-5H2,(H2,14,17).
What are the key properties of 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide?
2,4-bis(2-fluoro-2-hydroxyethyl)benzamide has a molecular weight of 245.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-fluoro-2-hydroxyethyl)benzamide is sourced from PubChem (CID 57042244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).