5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide

C13H11BrClN3O — CID 91813337

IUPAC5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide
SMILESO=C(NCCc1cncnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClN3O/c14-10-1-2-12(15)11(5-10)13(19)18-4-3-9-6-16-8-17-7-9/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyLPBZIBZFMQTBDL-UHFFFAOYSA-N
MW340.61 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide

5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide (PubChem CID 91813337) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide
PubChem CID91813337
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide
SMILESO=C(NCCc1cncnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClN3O/c14-10-1-2-12(15)11(5-10)13(19)18-4-3-9-6-16-8-17-7-9/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyLPBZIBZFMQTBDL-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91813323
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CID 55659264
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5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
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N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
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CID 27770225
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CID 43240050
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
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CID 100537060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide (CID 91813337) is 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide is O=C(NCCc1cncnc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide?
The InChIKey is LPBZIBZFMQTBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-10-1-2-12(15)11(5-10)13(19)18-4-3-9-6-16-8-17-7-9/h1-2,5-8H,3-4H2,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide?
5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide has a molecular weight of 340.61 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide is sourced from PubChem (CID 91813337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).