3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide

C17H16Cl2N2O2 — CID 5096755

IUPAC3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-13-3-1-2-12(10-13)17(22)20-15-11-14(19)4-5-16(15)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyMNAGQEXYLHXFOP-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.08
Rot. Bonds3

About 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide (PubChem CID 5096755) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
PubChem CID5096755
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c18-13-3-1-2-12(10-13)17(22)20-15-11-14(19)4-5-16(15)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyMNAGQEXYLHXFOP-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
CID 91676215
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16550996
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16550994
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 42999901

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide (CID 5096755) is 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
The InChIKey is MNAGQEXYLHXFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-13-3-1-2-12(10-13)17(22)20-15-11-14(19)4-5-16(15)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 5096755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).