N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C15H19Cl2N3O3 — CID 119814123

IUPACN-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(c2cccc(Cl)c2)C1=O)C1CC(O)CN1
InChIInChI=1S/C15H18ClN3O3.ClH/c16-9-2-1-3-10(6-9)19-5-4-12(15(19)22)18-14(21)13-7-11(20)8-17-13;/h1-3,6,11-13,17,20H,4-5,7-8H2,(H,18,21);1H
InChIKeyWECOYXQTKHKVMZ-UHFFFAOYSA-N
MW360.24 g/mol
LogP0.71
Rot. Bonds3

About N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119814123) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119814123
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC NameN-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(c2cccc(Cl)c2)C1=O)C1CC(O)CN1
InChIInChI=1S/C15H18ClN3O3.ClH/c16-9-2-1-3-10(6-9)19-5-4-12(15(19)22)18-14(21)13-7-11(20)8-17-13;/h1-3,6,11-13,17,20H,4-5,7-8H2,(H,18,21);1H
InChIKeyWECOYXQTKHKVMZ-UHFFFAOYSA-N
XLogP0.71
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119814123) is N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCN(c2cccc(Cl)c2)C1=O)C1CC(O)CN1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WECOYXQTKHKVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3.ClH/c16-9-2-1-3-10(6-9)19-5-4-12(15(19)22)18-14(21)13-7-11(20)8-17-13;/h1-3,6,11-13,17,20H,4-5,7-8H2,(H,18,21);1H.
What are the key properties of N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 360.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119814123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).