4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide

C13H10BrClN2O — CID 122136599

IUPAC4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1Cl)c1cccnc1
InChIInChI=1S/C13H10BrClN2O/c1-17(10-3-2-6-16-8-10)13(18)11-5-4-9(14)7-12(11)15/h2-8H,1H3
InChIKeyZKVZMGDBGWBIKP-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.77
Rot. Bonds2

About 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide

4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide (PubChem CID 122136599) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide
PubChem CID122136599
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1Cl)c1cccnc1
InChIInChI=1S/C13H10BrClN2O/c1-17(10-3-2-6-16-8-10)13(18)11-5-4-9(14)7-12(11)15/h2-8H,1H3
InChIKeyZKVZMGDBGWBIKP-UHFFFAOYSA-N
XLogP3.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide (CID 122136599) is 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide is CN(C(=O)c1ccc(Br)cc1Cl)c1cccnc1.
What is the InChIKey of 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is ZKVZMGDBGWBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-17(10-3-2-6-16-8-10)13(18)11-5-4-9(14)7-12(11)15/h2-8H,1H3.
What are the key properties of 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide?
4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 325.59 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 122136599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).