2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide

C15H13F2NO2 — CID 43391255

IUPAC2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyWPXVQMLTNUSPOO-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.43
Rot. Bonds4

About 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide

2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 43391255) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID43391255
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyWPXVQMLTNUSPOO-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide (CID 43391255) is 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide is O=C(NCC(O)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is WPXVQMLTNUSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20).
What are the key properties of 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 43391255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).