3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

C15H19BrN2O3 — CID 115670843

IUPAC3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESCc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C15H19BrN2O3/c1-11-2-3-12(10-13(11)16)15(20)17-5-4-14(19)18-6-8-21-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,20)
InChIKeyJZKAVNKFFJRQEB-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.74
Rot. Bonds4

About 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (PubChem CID 115670843) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
PubChem CID115670843
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESCc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1Br
InChIInChI=1S/C15H19BrN2O3/c1-11-2-3-12(10-13(11)16)15(20)17-5-4-14(19)18-6-8-21-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,20)
InChIKeyJZKAVNKFFJRQEB-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 103853094
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115578537
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide
CID 9225825
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-bromo-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-2-carboxamide
CID 47159960
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
3-fluoro-4-methyl-N-[2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]ethyl]benzamide
CID 55545871

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (CID 115670843) is 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The InChIKey is JZKAVNKFFJRQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-11-2-3-12(10-13(11)16)15(20)17-5-4-14(19)18-6-8-21-9-7-18/h2-3,10H,4-9H2,1H3,(H,17,20).
What are the key properties of 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide has a molecular weight of 355.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is sourced from PubChem (CID 115670843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).