2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide

C12H15F2NO3 — CID 83031888

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
SMILESC[C@@H](O)CNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H15F2NO3/c1-8(16)7-15-11(17)6-9-2-4-10(5-3-9)18-12(13)14/h2-5,8,12,16H,6-7H2,1H3,(H,15,17)/t8-/m1/s1
InChIKeyKOAPAJCRHFQMLO-MRVPVSSYSA-N
MW259.25 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide (PubChem CID 83031888) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
PubChem CID83031888
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
SMILESC[C@@H](O)CNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H15F2NO3/c1-8(16)7-15-11(17)6-9-2-4-10(5-3-9)18-12(13)14/h2-5,8,12,16H,6-7H2,1H3,(H,15,17)/t8-/m1/s1
InChIKeyKOAPAJCRHFQMLO-MRVPVSSYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770980
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
CID 78808200
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
CID 107318607
2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32632483
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 47024523
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide (CID 83031888) is 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide is C[C@@H](O)CNC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide?
The InChIKey is KOAPAJCRHFQMLO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-8(16)7-15-11(17)6-9-2-4-10(5-3-9)18-12(13)14/h2-5,8,12,16H,6-7H2,1H3,(H,15,17)/t8-/m1/s1.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide has a molecular weight of 259.25 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 83031888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).