3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide

C12H11BrFN3O — CID 114020145

IUPAC3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)c1ncc[nH]1
InChIInChI=1S/C12H11BrFN3O/c1-7(11-15-5-6-16-11)17-12(18)8-3-2-4-9(13)10(8)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyDEQQTZZXTIVWFD-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.80
Rot. Bonds3

About 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide

3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 114020145) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
PubChem CID114020145
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)c1ncc[nH]1
InChIInChI=1S/C12H11BrFN3O/c1-7(11-15-5-6-16-11)17-12(18)8-3-2-4-9(13)10(8)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyDEQQTZZXTIVWFD-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 107261346
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
CID 107951282
1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 114610004
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 106544298
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide (CID 114020145) is 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(Br)c1F)c1ncc[nH]1.
What is the InChIKey of 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is DEQQTZZXTIVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7(11-15-5-6-16-11)17-12(18)8-3-2-4-9(13)10(8)14/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide?
3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 312.14 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 114020145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).