N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C14H19F3N2O2 — CID 106910317

IUPACN-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCNCc1ccc(NC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-7-18-8-11-3-5-12(6-4-11)19-13(20)9-21-10-14(15,16)17/h3-6,18H,2,7-10H2,1H3,(H,19,20)
InChIKeyGGBQWJUCZQWTQR-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.70
Rot. Bonds8

About N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106910317) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106910317
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCNCc1ccc(NC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-7-18-8-11-3-5-12(6-4-11)19-13(20)9-21-10-14(15,16)17/h3-6,18H,2,7-10H2,1H3,(H,19,20)
InChIKeyGGBQWJUCZQWTQR-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide 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

3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 87029555
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990508
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209883
N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103805332
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
1-(4-methylphenyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 17486584
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103806176
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
[4-(propylaminomethyl)phenyl]methyl carbamate
CID 175323121

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 106910317) is N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCCNCc1ccc(NC(=O)COCC(F)(F)F)cc1.
What is the InChIKey of N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GGBQWJUCZQWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-7-18-8-11-3-5-12(6-4-11)19-13(20)9-21-10-14(15,16)17/h3-6,18H,2,7-10H2,1H3,(H,19,20).
What are the key properties of N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106910317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).