2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide

C13H14FN3O — CID 167874192

IUPAC2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide
SMILESCCc1ccc(F)cc1C(=O)Nc1ncc(C)[nH]1
InChIInChI=1S/C13H14FN3O/c1-3-9-4-5-10(14)6-11(9)12(18)17-13-15-7-8(2)16-13/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyHCKVKSLWEILCJX-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.67
Rot. Bonds3

About 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide

2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide (PubChem CID 167874192) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide
PubChem CID167874192
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide
SMILESCCc1ccc(F)cc1C(=O)Nc1ncc(C)[nH]1
InChIInChI=1S/C13H14FN3O/c1-3-9-4-5-10(14)6-11(9)12(18)17-13-15-7-8(2)16-13/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyHCKVKSLWEILCJX-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
CID 75484539
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
2-imidazol-1-yl-N-(5-methyl-1H-imidazol-2-yl)pyridine-4-carboxamide
CID 75430489
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide?
The IUPAC name of 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide (CID 167874192) is 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide is CCc1ccc(F)cc1C(=O)Nc1ncc(C)[nH]1.
What is the InChIKey of 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide?
The InChIKey is HCKVKSLWEILCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-9-4-5-10(14)6-11(9)12(18)17-13-15-7-8(2)16-13/h4-7H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide?
2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide has a molecular weight of 247.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 167874192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).