5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide

C15H15BrN2O — CID 65306899

IUPAC5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCCc1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-6-12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)
InChIKeyLWUBOFWHNRFLBM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.13
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide

5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 65306899) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID65306899
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCCc1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-6-12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)
InChIKeyLWUBOFWHNRFLBM-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 60914798
2-methyl-5-morpholin-4-ylsulfonyl-N-(2-pyridin-3-ylethyl)benzamide
CID 55555141
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
5-bromo-2-chloro-N-(2-pyrimidin-5-ylethyl)benzamide
CID 91813337
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide (CID 65306899) is 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide is Cc1ccc(Br)cc1C(=O)NCCc1cccnc1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is LWUBOFWHNRFLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-6-12-3-2-7-17-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide?
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 65306899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).