2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide

C15H12F3NO2 — CID 110888862

IUPAC2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F3NO2/c16-10-3-1-9(2-4-10)14(20)8-19-15(21)12-6-5-11(17)7-13(12)18/h1-7,14,20H,8H2,(H,19,21)
InChIKeyRRSVDOAEJCOAKB-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.57
Rot. Bonds4

About 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide

2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 110888862) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID110888862
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F3NO2/c16-10-3-1-9(2-4-10)14(20)8-19-15(21)12-6-5-11(17)7-13(12)18/h1-7,14,20H,8H2,(H,19,21)
InChIKeyRRSVDOAEJCOAKB-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
4-fluoro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103829637
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide (CID 110888862) is 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is RRSVDOAEJCOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-10-3-1-9(2-4-10)14(20)8-19-15(21)12-6-5-11(17)7-13(12)18/h1-7,14,20H,8H2,(H,19,21).
What are the key properties of 2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.57, 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-(4-fluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 110888862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).