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

C15H19BrN2O3 — CID 103853094

IUPAC2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1Br
InChIInChI=1S/C15H19BrN2O3/c1-11-3-2-4-12(14(11)16)15(20)17-6-5-13(19)18-7-9-21-10-8-18/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyYIUNJAQTZVBIKZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.74
Rot. Bonds4

About 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (PubChem CID 103853094) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
PubChem CID103853094
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1Br
InChIInChI=1S/C15H19BrN2O3/c1-11-3-2-4-12(14(11)16)15(20)17-6-5-13(19)18-7-9-21-10-8-18/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyYIUNJAQTZVBIKZ-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

3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115670843
N-(3-morpholin-4-yl-3-oxopropyl)-2-propan-2-ylsulfanylbenzamide
CID 51091605
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130965206
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (CID 103853094) is 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is Cc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The InChIKey is YIUNJAQTZVBIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-11-3-2-4-12(14(11)16)15(20)17-6-5-13(19)18-7-9-21-10-8-18/h2-4H,5-10H2,1H3,(H,17,20).
What are the key properties of 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
2-bromo-3-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 2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is sourced from PubChem (CID 103853094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).