4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide

C13H17BrN2O2 — CID 49094765

IUPAC4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrN2O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyVAEMHOLWSOPZPE-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.51
Rot. Bonds3

About 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide

4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 49094765) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID49094765
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrN2O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyVAEMHOLWSOPZPE-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960546
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 51133314
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 126452002
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 49094765) is 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide is CN1CCOC(CNC(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is VAEMHOLWSOPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 313.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 49094765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).