2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide

C15H21F2NO3 — CID 103770980

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO3/c1-10(2)7-12(19)9-18-14(20)8-11-3-5-13(6-4-11)21-15(16)17/h3-6,10,12,15,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyLSYPOHNHNBDWIN-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.35
Rot. Bonds8

About 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 103770980) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID103770980
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO3/c1-10(2)7-12(19)9-18-14(20)8-11-3-5-13(6-4-11)21-15(16)17/h3-6,10,12,15,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyLSYPOHNHNBDWIN-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
CID 78808200
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
CID 66177096
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847
2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
CID 107318607
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide (CID 103770980) is 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide is CC(C)CC(O)CNC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide?
The InChIKey is LSYPOHNHNBDWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-10(2)7-12(19)9-18-14(20)8-11-3-5-13(6-4-11)21-15(16)17/h3-6,10,12,15,19H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 301.33 g/mol, XLogP of 2.35, 8 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-(2-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103770980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).