N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C15H16F3N3O — CID 51102467

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O/c1-21-9-8-19-13(21)6-7-20-14(22)10-11-2-4-12(5-3-11)15(16,17)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyUWJLSVWBYNGAAB-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51102467) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51102467
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O/c1-21-9-8-19-13(21)6-7-20-14(22)10-11-2-4-12(5-3-11)15(16,17)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyUWJLSVWBYNGAAB-UHFFFAOYSA-N
XLogP2.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115580311
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465
3-hydroxy-1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 90342550
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 51102467) is N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cn1ccnc1CCNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UWJLSVWBYNGAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-21-9-8-19-13(21)6-7-20-14(22)10-11-2-4-12(5-3-11)15(16,17)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 311.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51102467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).