N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide

C18H19F3N2O3 — CID 56540495

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(OCCNC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-25-15-5-7-16(8-6-15)26-10-9-22-17(24)12-23-14-4-2-3-13(11-14)18(19,20)21/h2-8,11,23H,9-10,12H2,1H3,(H,22,24)
InChIKeyQQCPHCXSWXYGGZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56540495) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56540495
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(OCCNC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-25-15-5-7-16(8-6-15)26-10-9-22-17(24)12-23-14-4-2-3-13(11-14)18(19,20)21/h2-8,11,23H,9-10,12H2,1H3,(H,22,24)
InChIKeyQQCPHCXSWXYGGZ-UHFFFAOYSA-N
XLogP3.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.32
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

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833824
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
CID 975228
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56540495) is N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide is COc1ccc(OCCNC(=O)CNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QQCPHCXSWXYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-25-15-5-7-16(8-6-15)26-10-9-22-17(24)12-23-14-4-2-3-13(11-14)18(19,20)21/h2-8,11,23H,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 368.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56540495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).