3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide

C13H14FN3O — CID 115668440

IUPAC3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C13H14FN3O/c1-9-6-10(8-11(14)7-9)13(18)17-3-2-12-15-4-5-16-12/h4-8H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyBNHMGYDNTGLBMD-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.83
Rot. Bonds4

About 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide

3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide (PubChem CID 115668440) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
PubChem CID115668440
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C13H14FN3O/c1-9-6-10(8-11(14)7-9)13(18)17-3-2-12-15-4-5-16-12/h4-8H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyBNHMGYDNTGLBMD-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115668718
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide (CID 115668440) is 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCCc2ncc[nH]2)c1.
What is the InChIKey of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
The InChIKey is BNHMGYDNTGLBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-6-10(8-11(14)7-9)13(18)17-3-2-12-15-4-5-16-12/h4-8H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide has a molecular weight of 247.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 115668440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).