5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

C24H16Cl2N4O3 — CID 11677338

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C24H16Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h1-14H,(H,28,32)(H,27,29,33)
InChIKeyHLKAGEVBJQDRJP-UHFFFAOYSA-N
MW479.32 g/mol
LogP5.04
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (PubChem CID 11677338) has the molecular formula C24H16Cl2N4O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
PubChem CID11677338
Molecular FormulaC24H16Cl2N4O3
Molecular Weight479.32 g/mol
Exact Mass478.06
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C24H16Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h1-14H,(H,28,32)(H,27,29,33)
InChIKeyHLKAGEVBJQDRJP-UHFFFAOYSA-N
XLogP5.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (CID 11677338) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The InChIKey is HLKAGEVBJQDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h1-14H,(H,28,32)(H,27,29,33).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide has a molecular weight of 479.32 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is sourced from PubChem (CID 11677338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).