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

C15H15BrN2O2 — CID 114700612

IUPAC4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCc1ccncc1C
InChIInChI=1S/C15H15BrN2O2/c1-10-8-17-6-5-11(10)9-18-15(19)13-4-3-12(16)7-14(13)20-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyQFYBPZSXFLWLMK-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.09
Rot. Bonds4

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

4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114700612) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114700612
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCc1ccncc1C
InChIInChI=1S/C15H15BrN2O2/c1-10-8-17-6-5-11(10)9-18-15(19)13-4-3-12(16)7-14(13)20-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyQFYBPZSXFLWLMK-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
2-amino-3-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698208
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 115369253
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114700612) is 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide is COc1cc(Br)ccc1C(=O)NCc1ccncc1C.
What is the InChIKey of 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is QFYBPZSXFLWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-8-17-6-5-11(10)9-18-15(19)13-4-3-12(16)7-14(13)20-2/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 335.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114700612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).