N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide

C17H17F4N3O2 — CID 119887683

IUPACN-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1
InChIInChI=1S/C17H17F4N3O2/c1-22-8-2-3-15(25)24-12-5-6-14(13(18)9-12)26-16-7-4-11(10-23-16)17(19,20)21/h4-7,9-10,22H,2-3,8H2,1H3,(H,24,25)
InChIKeySEJHSLWJZVZJRO-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.97
Rot. Bonds7

About N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide

N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide (PubChem CID 119887683) has the molecular formula C17H17F4N3O2 and a molecular weight of 371.33 g/mol. Its IUPAC name is N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide
PubChem CID119887683
Molecular FormulaC17H17F4N3O2
Molecular Weight371.33 g/mol
Exact Mass371.13
IUPAC NameN-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1
InChIInChI=1S/C17H17F4N3O2/c1-22-8-2-3-15(25)24-12-5-6-14(13(18)9-12)26-16-7-4-11(10-23-16)17(19,20)21/h4-7,9-10,22H,2-3,8H2,1H3,(H,24,25)
InChIKeySEJHSLWJZVZJRO-UHFFFAOYSA-N
XLogP3.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide 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

(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoate
CID 7084639
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 56952843
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
CID 119887677
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425
3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
CID 39860875

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide (CID 119887683) is N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide?
The InChIKey is SEJHSLWJZVZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O2/c1-22-8-2-3-15(25)24-12-5-6-14(13(18)9-12)26-16-7-4-11(10-23-16)17(19,20)21/h4-7,9-10,22H,2-3,8H2,1H3,(H,24,25).
What are the key properties of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide?
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide has a molecular weight of 371.33 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119887683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).