2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide

C14H19F2NO3 — CID 109478693

IUPAC2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
SMILESCCC(O)CCNC(=O)C(F)(F)c1ccc(OC)cc1
InChIInChI=1S/C14H19F2NO3/c1-3-11(18)8-9-17-13(19)14(15,16)10-4-6-12(20-2)7-5-10/h4-7,11,18H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyLCAKZYLSJLDFRF-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.06
Rot. Bonds7

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

2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 109478693) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
PubChem CID109478693
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
SMILESCCC(O)CCNC(=O)C(F)(F)c1ccc(OC)cc1
InChIInChI=1S/C14H19F2NO3/c1-3-11(18)8-9-17-13(19)14(15,16)10-4-6-12(20-2)7-5-10/h4-7,11,18H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyLCAKZYLSJLDFRF-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 109476466
2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
CID 109478476
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
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
CID 89235308
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
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
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide (CID 109478693) is 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide is CCC(O)CCNC(=O)C(F)(F)c1ccc(OC)cc1.
What is the InChIKey of 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is LCAKZYLSJLDFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-3-11(18)8-9-17-13(19)14(15,16)10-4-6-12(20-2)7-5-10/h4-7,11,18H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide?
2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 287.31 g/mol, XLogP of 2.06, 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-hydroxypentyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 109478693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).