5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide

C13H15BrClNO2 — CID 124679722

IUPAC5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
SMILESC[C@H]1OCC[C@@]1(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H15BrClNO2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)/t8-,13-/m1/s1
InChIKeyMTSWNAWTJQLSKE-AMIZOPFISA-N
MW332.63 g/mol
LogP3.40
Rot. Bonds2

About 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide

5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide (PubChem CID 124679722) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
PubChem CID124679722
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
SMILESC[C@H]1OCC[C@@]1(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H15BrClNO2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)/t8-,13-/m1/s1
InChIKeyMTSWNAWTJQLSKE-AMIZOPFISA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(2R,3S)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679724
2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
CID 114096556
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114096341
4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
CID 113413534
N-(2,3-dimethyloxolan-3-yl)-2-(methylamino)benzamide
CID 114096557
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 114219697
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
CID 104630748
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide (CID 124679722) is 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide is C[C@H]1OCC[C@@]1(C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide?
The InChIKey is MTSWNAWTJQLSKE-AMIZOPFISA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)/t8-,13-/m1/s1.
What are the key properties of 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide?
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide has a molecular weight of 332.63 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide is sourced from PubChem (CID 124679722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).