N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide

C13H14BrN3O2 — CID 86797592

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C13H14BrN3O2/c14-10-1-2-12(17-5-7-19-8-6-17)11(9-10)16-13(18)3-4-15/h1-2,9H,3,5-8H2,(H,16,18)
InChIKeyMTRKOZYMYDKHBU-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.14
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide (PubChem CID 86797592) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
PubChem CID86797592
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C13H14BrN3O2/c14-10-1-2-12(17-5-7-19-8-6-17)11(9-10)16-13(18)3-4-15/h1-2,9H,3,5-8H2,(H,16,18)
InChIKeyMTRKOZYMYDKHBU-UHFFFAOYSA-N
XLogP2.14
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
(E)-N-(5-bromo-2-morpholin-4-ylphenyl)-3-(2-cyanophenyl)prop-2-enamide
CID 55465733
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
2-[(5-bromo-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169341352
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
CID 168523631

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide (CID 86797592) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide?
The InChIKey is MTRKOZYMYDKHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-1-2-12(17-5-7-19-8-6-17)11(9-10)16-13(18)3-4-15/h1-2,9H,3,5-8H2,(H,16,18).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide has a molecular weight of 324.18 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide is sourced from PubChem (CID 86797592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).