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

C17H16BrClN2O2 — CID 55363665

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c18-13-3-6-16(21-7-9-23-10-8-21)15(11-13)20-17(22)12-1-4-14(19)5-2-12/h1-6,11H,7-10H2,(H,20,22)
InChIKeyCIDVIXAXPRDTIU-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.19
Rot. Bonds3

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

N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide (PubChem CID 55363665) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
PubChem CID55363665
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c18-13-3-6-16(21-7-9-23-10-8-21)15(11-13)20-17(22)12-1-4-14(19)5-2-12/h1-6,11H,7-10H2,(H,20,22)
InChIKeyCIDVIXAXPRDTIU-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55363787
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 50881482
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide (CID 55363665) is N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide is O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide?
The InChIKey is CIDVIXAXPRDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c18-13-3-6-16(21-7-9-23-10-8-21)15(11-13)20-17(22)12-1-4-14(19)5-2-12/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide has a molecular weight of 395.68 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 55363665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).