4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide

C12H15BrN2O2 — CID 82737848

IUPAC4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccc(N)c(Br)c1)C1CCOC1
InChIInChI=1S/C12H15BrN2O2/c1-15(9-4-5-17-7-9)12(16)8-2-3-11(14)10(13)6-8/h2-3,6,9H,4-5,7,14H2,1H3
InChIKeyBEQARAXPBCHWIM-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide

4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 82737848) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID82737848
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccc(N)c(Br)c1)C1CCOC1
InChIInChI=1S/C12H15BrN2O2/c1-15(9-4-5-17-7-9)12(16)8-2-3-11(14)10(13)6-8/h2-3,6,9H,4-5,7,14H2,1H3
InChIKeyBEQARAXPBCHWIM-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615220
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
CID 82749581
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 82743833
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide (CID 82737848) is 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1ccc(N)c(Br)c1)C1CCOC1.
What is the InChIKey of 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is BEQARAXPBCHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-15(9-4-5-17-7-9)12(16)8-2-3-11(14)10(13)6-8/h2-3,6,9H,4-5,7,14H2,1H3.
What are the key properties of 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82737848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).