2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C14H14F3N3O2 — CID 75390344

IUPAC2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCc1nccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c1-2-12-18-7-8-20(12)9-13(21)19-10-3-5-11(6-4-10)22-14(15,16)17/h3-8H,2,9H2,1H3,(H,19,21)
InChIKeyPEEPVCPEHPDJLN-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 75390344) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID75390344
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCc1nccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c1-2-12-18-7-8-20(12)9-13(21)19-10-3-5-11(6-4-10)22-14(15,16)17/h3-8H,2,9H2,1H3,(H,19,21)
InChIKeyPEEPVCPEHPDJLN-UHFFFAOYSA-N
XLogP2.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 62223733
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 134042876
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90493982
2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46396004
2-(2-ethylimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 63811305
2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5168236
2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055226

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 75390344) is 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is CCc1nccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PEEPVCPEHPDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-2-12-18-7-8-20(12)9-13(21)19-10-3-5-11(6-4-10)22-14(15,16)17/h3-8H,2,9H2,1H3,(H,19,21).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 75390344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).