3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H17BrN2O2 — CID 114011379

IUPAC3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC1CCOC1C
InChIInChI=1S/C13H17BrN2O2/c1-7-10(5-9(14)6-11(7)15)13(17)16-12-3-4-18-8(12)2/h5-6,8,12H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyWFSSRFPYICFNKX-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.25
Rot. Bonds2

About 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide

3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 114011379) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID114011379
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC1CCOC1C
InChIInChI=1S/C13H17BrN2O2/c1-7-10(5-9(14)6-11(7)15)13(17)16-12-3-4-18-8(12)2/h5-6,8,12H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyWFSSRFPYICFNKX-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
CID 107075822
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193
4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82736650
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
5-bromo-2-chloro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731630
4-amino-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737450
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
CID 120648019

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 114011379) is 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide is Cc1c(N)cc(Br)cc1C(=O)NC1CCOC1C.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is WFSSRFPYICFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-7-10(5-9(14)6-11(7)15)13(17)16-12-3-4-18-8(12)2/h5-6,8,12H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 114011379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).