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

C17H16BrClN2O2 — CID 4020087

IUPAC2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Br
InChIInChI=1S/C17H16BrClN2O2/c18-14-4-2-1-3-13(14)17(22)20-15-11-12(19)5-6-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyLTJHQZUXQLWMKP-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.19
Rot. Bonds3

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

2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide (PubChem CID 4020087) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
PubChem CID4020087
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Br
InChIInChI=1S/C17H16BrClN2O2/c18-14-4-2-1-3-13(14)17(22)20-15-11-12(19)5-6-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyLTJHQZUXQLWMKP-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-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 38910561
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117728
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide (CID 4020087) is 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
The InChIKey is LTJHQZUXQLWMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c18-14-4-2-1-3-13(14)17(22)20-15-11-12(19)5-6-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide?
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide 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 2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 4020087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).