N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

C15H20F3NO2 — CID 107202415

IUPACN-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCCCCO)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-19(8-3-2-4-9-20)14(21)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10,20H,2-4,8-9,11H2,1H3
InChIKeyZAQVPLHUZQVGCF-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.87
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 107202415) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID107202415
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCCCCO)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-19(8-3-2-4-9-20)14(21)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10,20H,2-4,8-9,11H2,1H3
InChIKeyZAQVPLHUZQVGCF-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene
CID 107724506
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 54176693
2-(2-chlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202681
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (CID 107202415) is N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is CN(CCCCCO)C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZAQVPLHUZQVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-19(8-3-2-4-9-20)14(21)11-12-6-5-7-13(10-12)15(16,17)18/h5-7,10,20H,2-4,8-9,11H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 107202415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).