N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide

C16H15F2NO2 — CID 111538524

IUPACN-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCCc1ccc(F)cc1F)C(O)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c17-13-7-6-11(14(18)10-13)8-9-19-16(21)15(20)12-4-2-1-3-5-12/h1-7,10,15,20H,8-9H2,(H,19,21)
InChIKeyBUNQJBDHVMDMGZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide

N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111538524) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
PubChem CID111538524
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCCc1ccc(F)cc1F)C(O)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c17-13-7-6-11(14(18)10-13)8-9-19-16(21)15(20)12-4-2-1-3-5-12/h1-7,10,15,20H,8-9H2,(H,19,21)
InChIKeyBUNQJBDHVMDMGZ-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
S-phenyl N-[2-(2,4-difluorophenyl)ethyl]carbamothioate
CID 19986428
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952335
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338565

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide (CID 111538524) is N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide is O=C(NCCc1ccc(F)cc1F)C(O)c1ccccc1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is BUNQJBDHVMDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-13-7-6-11(14(18)10-13)8-9-19-16(21)15(20)12-4-2-1-3-5-12/h1-7,10,15,20H,8-9H2,(H,19,21).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide?
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 291.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111538524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).