3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H23Cl2N3O2 — CID 119779533

IUPAC3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H22ClN3O2.ClH/c19-12-3-1-2-4-14(12)22-8-7-13(18(22)24)21-17(23)15-10-5-6-11(9-10)16(15)20;/h1-4,10-11,13,15-16H,5-9,20H2,(H,21,23);1H
InChIKeySXKIDWNUCSZHAU-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.36
Rot. Bonds3

About 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119779533) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119779533
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H22ClN3O2.ClH/c19-12-3-1-2-4-14(12)22-8-7-13(18(22)24)21-17(23)15-10-5-6-11(9-10)16(15)20;/h1-4,10-11,13,15-16H,5-9,20H2,(H,21,23);1H
InChIKeySXKIDWNUCSZHAU-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride 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 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119779533) is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is SXKIDWNUCSZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.ClH/c19-12-3-1-2-4-14(12)22-8-7-13(18(22)24)21-17(23)15-10-5-6-11(9-10)16(15)20;/h1-4,10-11,13,15-16H,5-9,20H2,(H,21,23);1H.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119779533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).