N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide

C13H13BrFN3O — CID 75433251

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3O/c1-2-12-16-5-6-18(12)8-13(19)17-11-4-3-9(14)7-10(11)15/h3-7H,2,8H2,1H3,(H,17,19)
InChIKeyVGGRWYAQVQBRLN-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.99
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide (PubChem CID 75433251) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
PubChem CID75433251
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3O/c1-2-12-16-5-6-18(12)8-13(19)17-11-4-3-9(14)7-10(11)15/h3-7H,2,8H2,1H3,(H,17,19)
InChIKeyVGGRWYAQVQBRLN-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076
1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone
CID 61405257
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372034
N-(4-bromo-2-fluorophenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290304
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide (CID 75433251) is N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide is CCc1nccn1CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide?
The InChIKey is VGGRWYAQVQBRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-12-16-5-6-18(12)8-13(19)17-11-4-3-9(14)7-10(11)15/h3-7H,2,8H2,1H3,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide has a molecular weight of 326.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide is sourced from PubChem (CID 75433251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).