N-(4-bromo-2-pyridinyl)-2-methylbenzamide

C13H11BrN2O — CID 102674072

IUPACN-(4-bromo-2-pyridinyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H11BrN2O/c1-9-4-2-3-5-11(9)13(17)16-12-8-10(14)6-7-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyRDVWWBMTGFILBN-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-2-methylbenzamide

N-(4-bromo-2-pyridinyl)-2-methylbenzamide (PubChem CID 102674072) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-methylbenzamide
PubChem CID102674072
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(4-bromo-2-pyridinyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H11BrN2O/c1-9-4-2-3-5-11(9)13(17)16-12-8-10(14)6-7-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyRDVWWBMTGFILBN-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-methylbenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-methylbenzamide (CID 102674072) is N-(4-bromo-2-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-methylbenzamide?
The InChIKey is RDVWWBMTGFILBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-4-2-3-5-11(9)13(17)16-12-8-10(14)6-7-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-methylbenzamide?
N-(4-bromo-2-pyridinyl)-2-methylbenzamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 102674072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).