5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C16H15BrClN3O2 — CID 34442516

IUPAC5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H15BrClN3O2/c17-11-1-3-14(18)13(9-11)16(22)20-12-2-4-15(19-10-12)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H,20,22)
InChIKeyAYFPWXPGFVUROS-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 34442516) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID34442516
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC Name5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H15BrClN3O2/c17-11-1-3-14(18)13(9-11)16(22)20-12-2-4-15(19-10-12)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H,20,22)
InChIKeyAYFPWXPGFVUROS-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18145943
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
CID 84553160
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 34442516) is 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is AYFPWXPGFVUROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2/c17-11-1-3-14(18)13(9-11)16(22)20-12-2-4-15(19-10-12)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H,20,22).
What are the key properties of 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 396.67 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 34442516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).