3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C14H12BrClN2O — CID 103841720

IUPAC3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C14H12BrClN2O/c1-9-3-2-4-11(18-9)8-17-14(19)10-5-6-13(16)12(15)7-10/h2-7H,8H2,1H3,(H,17,19)
InChIKeyZZEUDVDZCZCVPT-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.74
Rot. Bonds3

About 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 103841720) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID103841720
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C14H12BrClN2O/c1-9-3-2-4-11(18-9)8-17-14(19)10-5-6-13(16)12(15)7-10/h2-7H,8H2,1H3,(H,17,19)
InChIKeyZZEUDVDZCZCVPT-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041619
3-bromo-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoic acid
CID 103247826

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 103841720) is 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is ZZEUDVDZCZCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-9-3-2-4-11(18-9)8-17-14(19)10-5-6-13(16)12(15)7-10/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 339.62 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 103841720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).