N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide

C13H17F3N2O2 — CID 82955375

IUPACN-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
SMILESNc1ccccc1NC(=O)CCCOCCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)7-9-20-8-3-6-12(19)18-11-5-2-1-4-10(11)17/h1-2,4-5H,3,6-9,17H2,(H,18,19)
InChIKeyQGFUXRAXCGWFBV-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.96
Rot. Bonds7

About N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide

N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide (PubChem CID 82955375) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
PubChem CID82955375
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
SMILESNc1ccccc1NC(=O)CCCOCCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)7-9-20-8-3-6-12(19)18-11-5-2-1-4-10(11)17/h1-2,4-5H,3,6-9,17H2,(H,18,19)
InChIKeyQGFUXRAXCGWFBV-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)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

N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486961
N-(2-aminophenyl)octadecanamide
CID 68839220

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide (CID 82955375) is N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide is Nc1ccccc1NC(=O)CCCOCCC(F)(F)F.
What is the InChIKey of N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide?
The InChIKey is QGFUXRAXCGWFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)7-9-20-8-3-6-12(19)18-11-5-2-1-4-10(11)17/h1-2,4-5H,3,6-9,17H2,(H,18,19).
What are the key properties of N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide?
N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide has a molecular weight of 290.28 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide is sourced from PubChem (CID 82955375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).