4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide

C13H17BrN2O2 — CID 103548613

IUPAC4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2COCCN2)ccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-9-6-10(2-3-12(9)14)13(17)16-7-11-8-18-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyZHACEDWLVHGYHY-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.48
Rot. Bonds3

About 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide

4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide (PubChem CID 103548613) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
PubChem CID103548613
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2COCCN2)ccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-9-6-10(2-3-12(9)14)13(17)16-7-11-8-18-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyZHACEDWLVHGYHY-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
N-(morpholin-3-ylmethyl)-1H-indole-6-carboxamide
CID 103548357
3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548275
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
2-methyl-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548415
4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
CID 103548627
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548575
2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide (CID 103548613) is 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide is Cc1cc(C(=O)NCC2COCCN2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide?
The InChIKey is ZHACEDWLVHGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-6-10(2-3-12(9)14)13(17)16-7-11-8-18-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide?
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide is sourced from PubChem (CID 103548613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).