2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C15H14Br2N2O — CID 114372600

IUPAC2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)ccc2Br)n1
InChIInChI=1S/C15H14Br2N2O/c1-10-4-3-5-12(18-10)9-19(2)15(20)13-8-11(16)6-7-14(13)17/h3-8H,9H2,1-2H3
InChIKeyFDLSTHVARFICOJ-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.19
Rot. Bonds3

About 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide

2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 114372600) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID114372600
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)ccc2Br)n1
InChIInChI=1S/C15H14Br2N2O/c1-10-4-3-5-12(18-10)9-19(2)15(20)13-8-11(16)6-7-14(13)17/h3-8H,9H2,1-2H3
InChIKeyFDLSTHVARFICOJ-UHFFFAOYSA-N
XLogP4.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103957226
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 114371641
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 114372600) is 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2cc(Br)ccc2Br)n1.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is FDLSTHVARFICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-10-4-3-5-12(18-10)9-19(2)15(20)13-8-11(16)6-7-14(13)17/h3-8H,9H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 398.10 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114372600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).