3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide

C26H20Cl2N2O3 — CID 69070014

IUPAC3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1OCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C26H20Cl2N2O3/c27-21-11-12-22(28)24(15-21)33-17-19-8-4-9-20(14-19)26(31)30-25-23(10-5-13-29-25)32-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,29,30,31)
InChIKeyLVKNUACZKJVIIG-UHFFFAOYSA-N
MW479.36 g/mol
LogP6.80
Rot. Bonds8

About 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide

3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide (PubChem CID 69070014) has the molecular formula C26H20Cl2N2O3 and a molecular weight of 479.36 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
PubChem CID69070014
Molecular FormulaC26H20Cl2N2O3
Molecular Weight479.36 g/mol
Exact Mass478.09
IUPAC Name3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1OCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C26H20Cl2N2O3/c27-21-11-12-22(28)24(15-21)33-17-19-8-4-9-20(14-19)26(31)30-25-23(10-5-13-29-25)32-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,29,30,31)
InChIKeyLVKNUACZKJVIIG-UHFFFAOYSA-N
XLogP6.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
CID 142715637
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
CID 103094075
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19287053
N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
CID 155816547
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19400684
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]benzamide
CID 19345085
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19409427
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
The IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide (CID 69070014) is 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide is O=C(Nc1ncccc1OCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
The InChIKey is LVKNUACZKJVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O3/c27-21-11-12-22(28)24(15-21)33-17-19-8-4-9-20(14-19)26(31)30-25-23(10-5-13-29-25)32-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,29,30,31).
What are the key properties of 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide?
3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide has a molecular weight of 479.36 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 69070014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).