N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide

C12H14F4N2O2 — CID 82955993

IUPACN-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
SMILESNc1cc(NC(=O)CCOCCC(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O2/c13-9-2-1-8(7-10(9)17)18-11(19)3-5-20-6-4-12(14,15)16/h1-2,7H,3-6,17H2,(H,18,19)
InChIKeyISFCMPHPOTVJJZ-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.71
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide

N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide (PubChem CID 82955993) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
PubChem CID82955993
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
SMILESNc1cc(NC(=O)CCOCCC(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O2/c13-9-2-1-8(7-10(9)17)18-11(19)3-5-20-6-4-12(14,15)16/h1-2,7H,3-6,17H2,(H,18,19)
InChIKeyISFCMPHPOTVJJZ-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.71
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-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide 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-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide (CID 82955993) is N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide is Nc1cc(NC(=O)CCOCCC(F)(F)F)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide?
The InChIKey is ISFCMPHPOTVJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c13-9-2-1-8(7-10(9)17)18-11(19)3-5-20-6-4-12(14,15)16/h1-2,7H,3-6,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide?
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide has a molecular weight of 294.25 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide is sourced from PubChem (CID 82955993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).