2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H13BrN2O — CID 114700594

IUPAC2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O/c1-10-8-16-7-6-11(10)9-17-14(18)12-4-2-3-5-13(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyDAKVTRXHXZNSQV-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.08
Rot. Bonds3

About 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide

2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114700594) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114700594
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O/c1-10-8-16-7-6-11(10)9-17-14(18)12-4-2-3-5-13(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyDAKVTRXHXZNSQV-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

2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
2-(3-aminoprop-1-ynyl)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701688
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114700594) is 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is DAKVTRXHXZNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-8-16-7-6-11(10)9-17-14(18)12-4-2-3-5-13(12)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]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-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114700594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).