4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

C12H11BrFN3O — CID 63940212

IUPAC4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H11BrFN3O/c1-17(7-11-15-4-5-16-11)12(18)9-3-2-8(13)6-10(9)14/h2-6H,7H2,1H3,(H,15,16)
InChIKeyGUHREAYAITWVAF-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.58
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (PubChem CID 63940212) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
PubChem CID63940212
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H11BrFN3O/c1-17(7-11-15-4-5-16-11)12(18)9-3-2-8(13)6-10(9)14/h2-6H,7H2,1H3,(H,15,16)
InChIKeyGUHREAYAITWVAF-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
4,5-difluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-nitrobenzamide
CID 64511500
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64517937
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (CID 63940212) is 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The InChIKey is GUHREAYAITWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-17(7-11-15-4-5-16-11)12(18)9-3-2-8(13)6-10(9)14/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide has a molecular weight of 312.14 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 63940212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).