3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

C15H19BrN2O3 — CID 104852991

IUPAC3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)NC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-7-12(9-13(16)8-10)14(19)17-11(2)15(20)18-3-5-21-6-4-18/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyFAQMSIHZCQRULJ-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.73
Rot. Bonds3

About 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (PubChem CID 104852991) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
PubChem CID104852991
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)NC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-7-12(9-13(16)8-10)14(19)17-11(2)15(20)18-3-5-21-6-4-18/h7-9,11H,3-6H2,1-2H3,(H,17,19)
InChIKeyFAQMSIHZCQRULJ-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115603657
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (CID 104852991) is 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is Cc1cc(Br)cc(C(=O)NC(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The InChIKey is FAQMSIHZCQRULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-7-12(9-13(16)8-10)14(19)17-11(2)15(20)18-3-5-21-6-4-18/h7-9,11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide has a molecular weight of 355.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 104852991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).