N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide

C25H18Cl2N2O3 — CID 163699685

IUPACN-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide
SMILESO=C1CN=C(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)C=C1Cc1ccccc1
InChIInChI=1S/C25H18Cl2N2O3/c26-20-13-19(29-25(31)17-9-5-2-6-10-17)14-21(27)24(20)32-23-12-18(22(30)15-28-23)11-16-7-3-1-4-8-16/h1-10,12-14H,11,15H2,(H,29,31)
InChIKeyVRLCTBCSSDNXMK-UHFFFAOYSA-N
MW465.34 g/mol
LogP5.77
Rot. Bonds5

About N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide

N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide (PubChem CID 163699685) has the molecular formula C25H18Cl2N2O3 and a molecular weight of 465.34 g/mol. Its IUPAC name is N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide
PubChem CID163699685
Molecular FormulaC25H18Cl2N2O3
Molecular Weight465.34 g/mol
Exact Mass464.07
IUPAC NameN-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide
SMILESO=C1CN=C(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)C=C1Cc1ccccc1
InChIInChI=1S/C25H18Cl2N2O3/c26-20-13-19(29-25(31)17-9-5-2-6-10-17)14-21(27)24(20)32-23-12-18(22(30)15-28-23)11-16-7-3-1-4-8-16/h1-10,12-14H,11,15H2,(H,29,31)
InChIKeyVRLCTBCSSDNXMK-UHFFFAOYSA-N
XLogP5.77
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.34
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide?
The IUPAC name of N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide (CID 163699685) is N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide.
What is the SMILES notation for N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide?
The canonical SMILES for N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide is O=C1CN=C(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)C=C1Cc1ccccc1.
What is the InChIKey of N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide?
The InChIKey is VRLCTBCSSDNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O3/c26-20-13-19(29-25(31)17-9-5-2-6-10-17)14-21(27)24(20)32-23-12-18(22(30)15-28-23)11-16-7-3-1-4-8-16/h1-10,12-14H,11,15H2,(H,29,31).
What are the key properties of N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide?
N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide has a molecular weight of 465.34 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide is sourced from PubChem (CID 163699685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).