4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

C29H28Cl2N4O3 — CID 25105716

IUPAC4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38)
InChIKeyKIOMHAPZIAUVSW-UHFFFAOYSA-N
MW551.47 g/mol
LogP4.70
Rot. Bonds6

About 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (PubChem CID 25105716) has the molecular formula C29H28Cl2N4O3 and a molecular weight of 551.47 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
PubChem CID25105716
Molecular FormulaC29H28Cl2N4O3
Molecular Weight551.47 g/mol
Exact Mass550.15
IUPAC Name4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38)
InChIKeyKIOMHAPZIAUVSW-UHFFFAOYSA-N
XLogP4.70
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (CID 25105716) is 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is O=C(c1ccc(Cl)cc1)N(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?
The InChIKey is KIOMHAPZIAUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38).
What are the key properties of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?
4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide has a molecular weight of 551.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is sourced from PubChem (CID 25105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).