2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H13BrN2O — CID 113338677

IUPAC2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccccn2)c1Br
InChIInChI=1S/C14H13BrN2O/c1-10-5-4-7-12(13(10)15)14(18)17-9-11-6-2-3-8-16-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyYRPQOBACTUQMNX-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.08
Rot. Bonds3

About 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide

2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 113338677) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID113338677
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccccn2)c1Br
InChIInChI=1S/C14H13BrN2O/c1-10-5-4-7-12(13(10)15)14(18)17-9-11-6-2-3-8-16-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyYRPQOBACTUQMNX-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111115
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113339241
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 113338677) is 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2ccccn2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YRPQOBACTUQMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-5-4-7-12(13(10)15)14(18)17-9-11-6-2-3-8-16-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 113338677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).