3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide

C14H12Br2N2O2 — CID 79729860

IUPAC3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(Br)cn2)cc1Br
InChIInChI=1S/C14H12Br2N2O2/c1-8-5-13(17-7-11(8)16)18-14(19)9-3-4-12(20-2)10(15)6-9/h3-7H,1-2H3,(H,17,18,19)
InChIKeyVPUDPXIRHBABBP-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.18
Rot. Bonds3

About 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide

3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide (PubChem CID 79729860) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
PubChem CID79729860
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(Br)cn2)cc1Br
InChIInChI=1S/C14H12Br2N2O2/c1-8-5-13(17-7-11(8)16)18-14(19)9-3-4-12(20-2)10(15)6-9/h3-7H,1-2H3,(H,17,18,19)
InChIKeyVPUDPXIRHBABBP-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
CID 79736443
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide (CID 79729860) is 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)c(Br)cn2)cc1Br.
What is the InChIKey of 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide?
The InChIKey is VPUDPXIRHBABBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-8-5-13(17-7-11(8)16)18-14(19)9-3-4-12(20-2)10(15)6-9/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide?
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide has a molecular weight of 400.07 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 79729860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).