N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C15H15F4N3O — CID 126830055

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cncc1CC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C15H15F4N3O/c1-21-10-20-7-13(21)6-14(23)22(9-15(17,18)19)8-11-2-4-12(16)5-3-11/h2-5,7,10H,6,8-9H2,1H3
InChIKeyFFGZHEYXGVWMFI-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 126830055) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID126830055
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cncc1CC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C15H15F4N3O/c1-21-10-20-7-13(21)6-14(23)22(9-15(17,18)19)8-11-2-4-12(16)5-3-11/h2-5,7,10H,6,8-9H2,1H3
InChIKeyFFGZHEYXGVWMFI-UHFFFAOYSA-N
XLogP2.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 126809877
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
N-[[4-(dimethylamino)phenyl]methyl]-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56801304
N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135090684
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119110043
2-[carboxymethyl-[(3-methylimidazol-4-yl)methyl]amino]acetic acid
CID 66116320
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 56801300
N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
CID 81257990
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 126830055) is N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cn1cncc1CC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FFGZHEYXGVWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c1-21-10-20-7-13(21)6-14(23)22(9-15(17,18)19)8-11-2-4-12(16)5-3-11/h2-5,7,10H,6,8-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 329.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 126830055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).