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

C13H16ClF3N2O3 — CID 119785490

IUPACN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C13H16ClF3N2O3/c1-21-5-4-18-7-12(20)19-10-3-2-9(14)6-11(10)22-8-13(15,16)17/h2-3,6,18H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyIEHOMDYTVABQCZ-UHFFFAOYSA-N
MW340.73 g/mol
LogP2.46
Rot. Bonds8

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

N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119785490) has the molecular formula C13H16ClF3N2O3 and a molecular weight of 340.73 g/mol. Its IUPAC name is N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119785490
Molecular FormulaC13H16ClF3N2O3
Molecular Weight340.73 g/mol
Exact Mass340.08
IUPAC NameN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C13H16ClF3N2O3/c1-21-5-4-18-7-12(20)19-10-3-2-9(14)6-11(10)22-8-13(15,16)17/h2-3,6,18H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyIEHOMDYTVABQCZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-methylphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63829118
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 56790130
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119776586
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide (CID 119785490) is N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is IEHOMDYTVABQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3/c1-21-5-4-18-7-12(20)19-10-3-2-9(14)6-11(10)22-8-13(15,16)17/h2-3,6,18H,4-5,7-8H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 340.73 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119785490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).