N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide

C11H13F2NO2 — CID 103513904

IUPACN-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
SMILESO=C(C(F)F)N(CCO)Cc1ccccc1
InChIInChI=1S/C11H13F2NO2/c12-10(13)11(16)14(6-7-15)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyFKZUCQBLQHMLQD-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.27
Rot. Bonds5

About N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide

N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide (PubChem CID 103513904) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
PubChem CID103513904
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC NameN-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
SMILESO=C(C(F)F)N(CCO)Cc1ccccc1
InChIInChI=1S/C11H13F2NO2/c12-10(13)11(16)14(6-7-15)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyFKZUCQBLQHMLQD-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
N-benzyl-2-carbamothioyl-N-(2-hydroxyethyl)butanamide
CID 55040766
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide (CID 103513904) is N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide is O=C(C(F)F)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide?
The InChIKey is FKZUCQBLQHMLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-10(13)11(16)14(6-7-15)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2.
What are the key properties of N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide?
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide has a molecular weight of 229.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 103513904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).