3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C14H12Br2N2O2 — CID 103907640

IUPAC3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H12Br2N2O2/c1-20-14-9(3-2-4-17-14)8-18-13(19)10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyZXQUBXJFQRQCRI-UHFFFAOYSA-N
MW400.07 g/mol
LogP3.55
Rot. Bonds4

About 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 103907640) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID103907640
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H12Br2N2O2/c1-20-14-9(3-2-4-17-14)8-18-13(19)10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyZXQUBXJFQRQCRI-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55698371
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
CID 12847830
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 38535025

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 103907640) is 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is ZXQUBXJFQRQCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-14-9(3-2-4-17-14)8-18-13(19)10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 400.07 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 103907640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).