2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O3 — CID 47077742

IUPAC2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1ccccc1NCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O3/c1-25-10-11-26-16-9-5-4-8-15(16)22-12-17(24)23-14-7-3-2-6-13(14)18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24)
InChIKeyJDIBQFIVRVNWBS-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.78
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 47077742) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID47077742
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1ccccc1NCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O3/c1-25-10-11-26-16-9-5-4-8-15(16)22-12-17(24)23-14-7-3-2-6-13(14)18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24)
InChIKeyJDIBQFIVRVNWBS-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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

3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
N-[2-methyl-3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]phenyl]propanamide
CID 47077586
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 47077742) is 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide is COCCOc1ccccc1NCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JDIBQFIVRVNWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-25-10-11-26-16-9-5-4-8-15(16)22-12-17(24)23-14-7-3-2-6-13(14)18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24).
What are the key properties of 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 47077742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).