4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide

C13H10BrClN2O2 — CID 107396670

IUPAC4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(COc2ccc(Br)nc2)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O2/c14-12-4-3-10(6-17-12)19-7-9-2-1-8(13(16)18)5-11(9)15/h1-6H,7H2,(H2,16,18)
InChIKeyJRLGDXCJBLAJOB-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.18
Rot. Bonds4

About 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide

4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide (PubChem CID 107396670) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
PubChem CID107396670
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(COc2ccc(Br)nc2)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O2/c14-12-4-3-10(6-17-12)19-7-9-2-1-8(13(16)18)5-11(9)15/h1-6H,7H2,(H2,16,18)
InChIKeyJRLGDXCJBLAJOB-UHFFFAOYSA-N
XLogP3.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
CID 102663375
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 102669607

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide?
The IUPAC name of 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide (CID 107396670) is 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide is NC(=O)c1ccc(COc2ccc(Br)nc2)c(Cl)c1.
What is the InChIKey of 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide?
The InChIKey is JRLGDXCJBLAJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-12-4-3-10(6-17-12)19-7-9-2-1-8(13(16)18)5-11(9)15/h1-6H,7H2,(H2,16,18).
What are the key properties of 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide?
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide has a molecular weight of 341.59 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide is sourced from PubChem (CID 107396670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).