3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

C26H18Cl2N4O4 — CID 122187967

IUPAC3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C26H18Cl2N4O4/c27-19-10-6-17(13-20(19)28)26(36)31-22-14-16(24(29)34)7-11-21(22)30-25(35)15-4-8-18(9-5-15)32-12-2-1-3-23(32)33/h1-14H,(H2,29,34)(H,30,35)(H,31,36)
InChIKeyFNCSYBJEPMIBLB-UHFFFAOYSA-N
MW521.36 g/mol
LogP4.75
Rot. Bonds6

About 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (PubChem CID 122187967) has the molecular formula C26H18Cl2N4O4 and a molecular weight of 521.36 g/mol. Its IUPAC name is 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
PubChem CID122187967
Molecular FormulaC26H18Cl2N4O4
Molecular Weight521.36 g/mol
Exact Mass520.07
IUPAC Name3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C26H18Cl2N4O4/c27-19-10-6-17(13-20(19)28)26(36)31-22-14-16(24(29)34)7-11-21(22)30-25(35)15-4-8-18(9-5-15)32-12-2-1-3-23(32)33/h1-14H,(H2,29,34)(H,30,35)(H,31,36)
InChIKeyFNCSYBJEPMIBLB-UHFFFAOYSA-N
XLogP4.75
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.36
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (CID 122187967) is 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The InChIKey is FNCSYBJEPMIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N4O4/c27-19-10-6-17(13-20(19)28)26(36)31-22-14-16(24(29)34)7-11-21(22)30-25(35)15-4-8-18(9-5-15)32-12-2-1-3-23(32)33/h1-14H,(H2,29,34)(H,30,35)(H,31,36).
What are the key properties of 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide has a molecular weight of 521.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is sourced from PubChem (CID 122187967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).