N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide

C21H20F2N4O — CID 130431732

IUPACN-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide
SMILESNc1cc(C(CNC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H20F2N4O/c22-21(23,16-9-5-2-6-10-16)20(28)26-13-17(14-7-3-1-4-8-14)15-11-18(24)27-19(25)12-15/h1-12,17H,13H2,(H,26,28)(H4,24,25,27)
InChIKeyMDYSLILURFEKNL-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide

N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide (PubChem CID 130431732) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide
PubChem CID130431732
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide
SMILESNc1cc(C(CNC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H20F2N4O/c22-21(23,16-9-5-2-6-10-16)20(28)26-13-17(14-7-3-1-4-8-14)15-11-18(24)27-19(25)12-15/h1-12,17H,13H2,(H,26,28)(H4,24,25,27)
InChIKeyMDYSLILURFEKNL-UHFFFAOYSA-N
XLogP3.29
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide
CID 44763232
4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine
CID 160567026
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
ethane;N-ethyl-2,2-difluoro-2-phenylacetamide;2-fluoro-2-phenylacetamide;molecular hydrogen
CID 165408243
2-[[(2,2-difluoro-2-phenylacetyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243190
N-(2-amino-2-ethylbutyl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119641466
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide (CID 130431732) is N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide is Nc1cc(C(CNC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc(N)n1.
What is the InChIKey of N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide?
The InChIKey is MDYSLILURFEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-21(23,16-9-5-2-6-10-16)20(28)26-13-17(14-7-3-1-4-8-14)15-11-18(24)27-19(25)12-15/h1-12,17H,13H2,(H,26,28)(H4,24,25,27).
What are the key properties of N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide?
N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide has a molecular weight of 382.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 130431732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).