2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide

C13H17BrN2O2 — CID 114096556

IUPAC2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
SMILESCC1OCCC1(C)NC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H17BrN2O2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyIZDHOJQNRZETHA-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.33
Rot. Bonds2

About 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide

2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide (PubChem CID 114096556) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
PubChem CID114096556
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
SMILESCC1OCCC1(C)NC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H17BrN2O2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyIZDHOJQNRZETHA-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-[(2R,3S)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679724
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679722
4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
CID 113413534
5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114096341
N-(2,3-dimethyloxolan-3-yl)-2-(methylamino)benzamide
CID 114096557
N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
CID 104630748
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 114219697
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
2-bromo-1-N-(2,3-dimethyloxolan-3-yl)-5-methylbenzene-1,4-diamine
CID 114095308
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide (CID 114096556) is 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide is CC1OCCC1(C)NC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide?
The InChIKey is IZDHOJQNRZETHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide?
2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide is sourced from PubChem (CID 114096556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).