2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

C26H24ClN3O4 — CID 118731972

IUPAC2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H24ClN3O4/c1-34-21-12-13-23(29-25(32)17-5-4-6-18(27)15-17)22(16-21)26(33)28-19-8-10-20(11-9-19)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyLAQCSRGXBUKEBM-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.37
Rot. Bonds6

About 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 118731972) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID118731972
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H24ClN3O4/c1-34-21-12-13-23(29-25(32)17-5-4-6-18(27)15-17)22(16-21)26(33)28-19-8-10-20(11-9-19)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyLAQCSRGXBUKEBM-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 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 118731972) is 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is LAQCSRGXBUKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-34-21-12-13-23(29-25(32)17-5-4-6-18(27)15-17)22(16-21)26(33)28-19-8-10-20(11-9-19)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]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 2-[(3-chlorobenzoyl)amino]-5-methoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 118731972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).