2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

C13H16ClF3N2O2 — CID 79793142

IUPAC2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O2/c1-12(18,13(15,16)17)11(20)19(2)7-8-21-10-5-3-9(14)4-6-10/h3-6H,7-8,18H2,1-2H3
InChIKeyUZKVQSOIPQVCKN-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79793142) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79793142
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O2/c1-12(18,13(15,16)17)11(20)19(2)7-8-21-10-5-3-9(14)4-6-10/h3-6H,7-8,18H2,1-2H3
InChIKeyUZKVQSOIPQVCKN-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79793142) is 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is CN(CCOc1ccc(Cl)cc1)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The InChIKey is UZKVQSOIPQVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2/c1-12(18,13(15,16)17)11(20)19(2)7-8-21-10-5-3-9(14)4-6-10/h3-6H,7-8,18H2,1-2H3.
What are the key properties of 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 324.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is sourced from PubChem (CID 79793142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).