N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide

C26H24ClN3O4 — CID 155510611

IUPACN-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H24ClN3O4/c1-34-21-13-14-23(22(16-21)26(33)28-19-9-7-18(27)8-10-19)29-25(32)17-5-11-20(12-6-17)30-15-3-2-4-24(30)31/h5-14,16H,2-4,15H2,1H3,(H,28,33)(H,29,32)
InChIKeyGGEDXUZSQUNERV-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.37
Rot. Bonds6

About N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide

N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide (PubChem CID 155510611) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
PubChem CID155510611
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC NameN-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H24ClN3O4/c1-34-21-13-14-23(22(16-21)26(33)28-19-9-7-18(27)8-10-19)29-25(32)17-5-11-20(12-6-17)30-15-3-2-4-24(30)31/h5-14,16H,2-4,15H2,1H3,(H,28,33)(H,29,32)
InChIKeyGGEDXUZSQUNERV-UHFFFAOYSA-N
XLogP5.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide (CID 155510611) is N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The InChIKey is GGEDXUZSQUNERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-34-21-13-14-23(22(16-21)26(33)28-19-9-7-18(27)8-10-19)29-25(32)17-5-11-20(12-6-17)30-15-3-2-4-24(30)31/h5-14,16H,2-4,15H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide has a molecular weight of 477.95 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 155510611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).