2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

C24H30ClN3O5 — CID 70640702

IUPAC2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccccc1Cl)C(=O)N1C2CCC(C2)C1C(=O)NC1COC(=O)C1
InChIInChI=1S/C24H30ClN3O5/c1-24(2,3)20(27-21(30)16-6-4-5-7-17(16)25)23(32)28-15-9-8-13(10-15)19(28)22(31)26-14-11-18(29)33-12-14/h4-7,13-15,19-20H,8-12H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyQCWXYTAXWQPYJD-UHFFFAOYSA-N
MW475.97 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 70640702) has the molecular formula C24H30ClN3O5 and a molecular weight of 475.97 g/mol. Its IUPAC name is 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID70640702
Molecular FormulaC24H30ClN3O5
Molecular Weight475.97 g/mol
Exact Mass475.19
IUPAC Name2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccccc1Cl)C(=O)N1C2CCC(C2)C1C(=O)NC1COC(=O)C1
InChIInChI=1S/C24H30ClN3O5/c1-24(2,3)20(27-21(30)16-6-4-5-7-17(16)25)23(32)28-15-9-8-13(10-15)19(28)22(31)26-14-11-18(29)33-12-14/h4-7,13-15,19-20H,8-12H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyQCWXYTAXWQPYJD-UHFFFAOYSA-N
XLogP2.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 70640702) is 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is CC(C)(C)C(NC(=O)c1ccccc1Cl)C(=O)N1C2CCC(C2)C1C(=O)NC1COC(=O)C1.
What is the InChIKey of 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is QCWXYTAXWQPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O5/c1-24(2,3)20(27-21(30)16-6-4-5-7-17(16)25)23(32)28-15-9-8-13(10-15)19(28)22(31)26-14-11-18(29)33-12-14/h4-7,13-15,19-20H,8-12H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 475.97 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(5-oxooxolan-3-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 70640702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).