2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide

C13H14F2N2O2 — CID 107479516

IUPAC2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
SMILESN#CC(C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C13H14F2N2O2/c14-12(15)9-17(6-7-18)13(19)11(8-16)10-4-2-1-3-5-10/h1-5,11-12,18H,6-7,9H2
InChIKeyKRDRLCRRDYBINH-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.38
Rot. Bonds6

About 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide

2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide (PubChem CID 107479516) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
PubChem CID107479516
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
SMILESN#CC(C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C13H14F2N2O2/c14-12(15)9-17(6-7-18)13(19)11(8-16)10-4-2-1-3-5-10/h1-5,11-12,18H,6-7,9H2
InChIKeyKRDRLCRRDYBINH-UHFFFAOYSA-N
XLogP1.38
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479341
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
2-cyano-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 62877024
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107483315
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
CID 102216823
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 107483262
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide (CID 107479516) is 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide is N#CC(C(=O)N(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
The InChIKey is KRDRLCRRDYBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-12(15)9-17(6-7-18)13(19)11(8-16)10-4-2-1-3-5-10/h1-5,11-12,18H,6-7,9H2.
What are the key properties of 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide has a molecular weight of 268.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide is sourced from PubChem (CID 107479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).