N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide

C17H17F3N2O2 — CID 112980946

IUPACN-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-24-11-10-21-14-6-8-15(9-7-14)22-16(23)12-2-4-13(5-3-12)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyUZEQNSJLYYWRND-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide

N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 112980946) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID112980946
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-24-11-10-21-14-6-8-15(9-7-14)22-16(23)12-2-4-13(5-3-12)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyUZEQNSJLYYWRND-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
ethyl 2,2-difluoro-2-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]acetate
CID 142688452
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 9083088
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide (CID 112980946) is N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide is COCCNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UZEQNSJLYYWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-24-11-10-21-14-6-8-15(9-7-14)22-16(23)12-2-4-13(5-3-12)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 338.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112980946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).