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

C12H12FN3O — CID 115620189

IUPAC3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C12H12FN3O/c13-10-3-1-2-9(8-10)12(17)16-5-4-11-14-6-7-15-11/h1-3,6-8H,4-5H2,(H,14,15)(H,16,17)
InChIKeyOWOGXVJYCBBIKP-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.52
Rot. Bonds4

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

3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 115620189) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
PubChem CID115620189
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C12H12FN3O/c13-10-3-1-2-9(8-10)12(17)16-5-4-11-14-6-7-15-11/h1-3,6-8H,4-5H2,(H,14,15)(H,16,17)
InChIKeyOWOGXVJYCBBIKP-UHFFFAOYSA-N
XLogP1.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115668718
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide (CID 115620189) is 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide is O=C(NCCc1ncc[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is OWOGXVJYCBBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-3-1-2-9(8-10)12(17)16-5-4-11-14-6-7-15-11/h1-3,6-8H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 233.25 g/mol, XLogP of 1.52, 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]benzamide is sourced from PubChem (CID 115620189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).