N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide

C14H18F3NO2 — CID 118576354

IUPACN-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-2-3-4-8-13(19)18-10-11-6-5-7-12(9-11)20-14(15,16)17/h5-7,9H,2-4,8,10H2,1H3,(H,18,19)
InChIKeyXANGSTVHOHKJLG-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.78
Rot. Bonds7

About N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide

N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide (PubChem CID 118576354) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
PubChem CID118576354
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-2-3-4-8-13(19)18-10-11-6-5-7-12(9-11)20-14(15,16)17/h5-7,9H,2-4,8,10H2,1H3,(H,18,19)
InChIKeyXANGSTVHOHKJLG-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
3-[(nonanoylamino)methyl]benzoic acid
CID 60894775
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
N-[[3-(chloromethyl)phenyl]methyl]octanamide
CID 114302418
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
The IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide (CID 118576354) is N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide.
What is the SMILES notation for N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
The canonical SMILES for N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide is CCCCCC(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
The InChIKey is XANGSTVHOHKJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-2-3-4-8-13(19)18-10-11-6-5-7-12(9-11)20-14(15,16)17/h5-7,9H,2-4,8,10H2,1H3,(H,18,19).
What are the key properties of N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide?
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide has a molecular weight of 289.30 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide is sourced from PubChem (CID 118576354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).