N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide

C14H13BrN2O — CID 3584635

IUPACN-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cn2)cc1C
InChIInChI=1S/C14H13BrN2O/c1-9-3-4-11(7-10(9)2)14(18)17-13-6-5-12(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCHYNAWBENWULAO-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide

N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide (PubChem CID 3584635) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide
PubChem CID3584635
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cn2)cc1C
InChIInChI=1S/C14H13BrN2O/c1-9-3-4-11(7-10(9)2)14(18)17-13-6-5-12(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyCHYNAWBENWULAO-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide (CID 3584635) is N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide?
The InChIKey is CHYNAWBENWULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-3-4-11(7-10(9)2)14(18)17-13-6-5-12(15)8-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide?
N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 3584635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).