N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide

C18H16BrN3O2 — CID 46813523

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1
InChIInChI=1S/C18H16BrN3O2/c19-15-4-5-17(22-6-8-24-9-7-22)16(11-15)21-18(23)14-3-1-2-13(10-14)12-20/h1-5,10-11H,6-9H2,(H,21,23)
InChIKeyASBLXMVWUOTVMU-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.41
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide

N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide (PubChem CID 46813523) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
PubChem CID46813523
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1
InChIInChI=1S/C18H16BrN3O2/c19-15-4-5-17(22-6-8-24-9-7-22)16(11-15)21-18(23)14-3-1-2-13(10-14)12-20/h1-5,10-11H,6-9H2,(H,21,23)
InChIKeyASBLXMVWUOTVMU-UHFFFAOYSA-N
XLogP3.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide 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-cyanoacetamide
CID 86797592
1-N-(5-bromo-2-morpholin-4-ylphenyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167967581
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
(E)-N-(5-bromo-2-morpholin-4-ylphenyl)-3-(2-cyanophenyl)prop-2-enamide
CID 55465733
N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407073
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide (CID 46813523) is N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide?
The InChIKey is ASBLXMVWUOTVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-4-5-17(22-6-8-24-9-7-22)16(11-15)21-18(23)14-3-1-2-13(10-14)12-20/h1-5,10-11H,6-9H2,(H,21,23).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.41, 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)-3-cyanobenzamide is sourced from PubChem (CID 46813523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).