2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide

C13H16F2N2O2 — CID 163765559

IUPAC2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)c(N2CC(O)C2)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-7(2)16-13(19)9-3-11(15)12(4-10(9)14)17-5-8(18)6-17/h3-4,7-8,18H,5-6H2,1-2H3,(H,16,19)
InChIKeyMBYOZFLOPRBQFZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.28
Rot. Bonds3

About 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide

2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide (PubChem CID 163765559) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide
PubChem CID163765559
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)c(N2CC(O)C2)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-7(2)16-13(19)9-3-11(15)12(4-10(9)14)17-5-8(18)6-17/h3-4,7-8,18H,5-6H2,1-2H3,(H,16,19)
InChIKeyMBYOZFLOPRBQFZ-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
CID 139030542
methyl 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,5-difluorobenzoate
CID 98041526
2-chloro-5-fluoro-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-N-propan-2-ylbenzamide
CID 118290463
2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide
CID 175394714
methyl 2-amino-4-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzoate
CID 55132720
2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 155818610
5-cyano-2-fluoro-N-propan-2-ylbenzamide
CID 83405153
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-N-propan-2-ylquinoline-3-carboxamide
CID 46861228
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
CID 148955217
4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 133219418
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide (CID 163765559) is 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(F)c(N2CC(O)C2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is MBYOZFLOPRBQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-7(2)16-13(19)9-3-11(15)12(4-10(9)14)17-5-8(18)6-17/h3-4,7-8,18H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide?
2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 270.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 163765559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).