2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

C15H20Br2N2O2 — CID 114371891

IUPAC2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(Br)ccc1Br)N1CCOCC1
InChIInChI=1S/C15H20Br2N2O2/c1-15(2,19-5-7-21-8-6-19)10-18-14(20)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyAKYPOYMZMHLOCD-UHFFFAOYSA-N
MW420.15 g/mol
LogP3.05
Rot. Bonds4

About 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (PubChem CID 114371891) has the molecular formula C15H20Br2N2O2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
PubChem CID114371891
Molecular FormulaC15H20Br2N2O2
Molecular Weight420.15 g/mol
Exact Mass417.99
IUPAC Name2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(Br)ccc1Br)N1CCOCC1
InChIInChI=1S/C15H20Br2N2O2/c1-15(2,19-5-7-21-8-6-19)10-18-14(20)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyAKYPOYMZMHLOCD-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 46470982
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
1-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 47011963
2,5-dimethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51175190
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (CID 114371891) is 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is CC(C)(CNC(=O)c1cc(Br)ccc1Br)N1CCOCC1.
What is the InChIKey of 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The InChIKey is AKYPOYMZMHLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O2/c1-15(2,19-5-7-21-8-6-19)10-18-14(20)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide has a molecular weight of 420.15 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 114371891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).