5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C15H14BrClN2O — CID 79003905

IUPAC5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C15H14BrClN2O/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
InChIKeySNBYTDRAEJGNLD-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide

5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 79003905) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID79003905
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C15H14BrClN2O/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
InChIKeySNBYTDRAEJGNLD-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103957226
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 79003905) is 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2cc(Br)ccc2Cl)n1.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is SNBYTDRAEJGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/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 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 353.65 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 79003905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).