2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide

C13H14FN3O — CID 93422583

IUPAC2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
SMILESC[C@H](Cn1ccnc1)NC(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-10(8-17-7-6-15-9-17)16-13(18)11-4-2-3-5-12(11)14/h2-7,9-10H,8H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyAUNQGWSHWAUHAW-SNVBAGLBSA-N
MW247.27 g/mol
LogP1.84
Rot. Bonds4

About 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide

2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide (PubChem CID 93422583) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
PubChem CID93422583
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
SMILESC[C@H](Cn1ccnc1)NC(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-10(8-17-7-6-15-9-17)16-13(18)11-4-2-3-5-12(11)14/h2-7,9-10H,8H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyAUNQGWSHWAUHAW-SNVBAGLBSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 97088063
2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 47031153

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide (CID 93422583) is 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide is C[C@H](Cn1ccnc1)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
The InChIKey is AUNQGWSHWAUHAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-10(8-17-7-6-15-9-17)16-13(18)11-4-2-3-5-12(11)14/h2-7,9-10H,8H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide?
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide has a molecular weight of 247.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 93422583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).