2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide

C15H21F2NO3 — CID 109476466

IUPAC2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCCC(O)C(C)C)cc1
InChIInChI=1S/C15H21F2NO3/c1-10(2)13(19)8-9-18-14(20)15(16,17)11-4-6-12(21-3)7-5-11/h4-7,10,13,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyBAUQZBSVSBQKEB-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.31
Rot. Bonds7

About 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide

2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 109476466) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
PubChem CID109476466
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCCC(O)C(C)C)cc1
InChIInChI=1S/C15H21F2NO3/c1-10(2)13(19)8-9-18-14(20)15(16,17)11-4-6-12(21-3)7-5-11/h4-7,10,13,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyBAUQZBSVSBQKEB-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
CID 109478693
2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
CID 109478476
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 109479423
2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 109476397
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
(E)-N-(3-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912040
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113
2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75389540
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide (CID 109476466) is 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(C(F)(F)C(=O)NCCC(O)C(C)C)cc1.
What is the InChIKey of 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is BAUQZBSVSBQKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-10(2)13(19)8-9-18-14(20)15(16,17)11-4-6-12(21-3)7-5-11/h4-7,10,13,19H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide?
2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 301.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 109476466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).