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

C14H14BrN3O — CID 79467462

IUPAC3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C14H14BrN3O/c1-9-3-4-11(7-13(9)15)14(19)17-8-12-5-6-16-10(2)18-12/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyWYVVEHZZSPEQEO-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.79
Rot. Bonds3

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

3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 79467462) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID79467462
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C14H14BrN3O/c1-9-3-4-11(7-13(9)15)14(19)17-8-12-5-6-16-10(2)18-12/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyWYVVEHZZSPEQEO-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998603
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
methyl 4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]benzoate;molecular hydrogen
CID 142290980
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119182002

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (CID 79467462) is 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is Cc1nccc(CNC(=O)c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is WYVVEHZZSPEQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-3-4-11(7-13(9)15)14(19)17-8-12-5-6-16-10(2)18-12/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 79467462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).