3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride

C20H23Cl2N3O — CID 120761126

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CN(C2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22ClN3O.ClH/c21-16-8-4-5-9-18(16)24-11-10-19(20(24)25)23-12-15(17(22)13-23)14-6-2-1-3-7-14;/h1-9,15,17,19H,10-13,22H2;1H/t15-,17+,19?;/m0./s1
InChIKeyKXUIZPGUKIDVIN-WMAPLIBVSA-N
MW392.33 g/mol
LogP3.29
Rot. Bonds3

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 120761126) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
PubChem CID120761126
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CN(C2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22ClN3O.ClH/c21-16-8-4-5-9-18(16)24-11-10-19(20(24)25)23-12-15(17(22)13-23)14-6-2-1-3-7-14;/h1-9,15,17,19H,10-13,22H2;1H/t15-,17+,19?;/m0./s1
InChIKeyKXUIZPGUKIDVIN-WMAPLIBVSA-N
XLogP3.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride (CID 120761126) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride is Cl.N[C@@H]1CN(C2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is KXUIZPGUKIDVIN-WMAPLIBVSA-N. The full InChI is InChI=1S/C20H22ClN3O.ClH/c21-16-8-4-5-9-18(16)24-11-10-19(20(24)25)23-12-15(17(22)13-23)14-6-2-1-3-7-14;/h1-9,15,17,19H,10-13,22H2;1H/t15-,17+,19?;/m0./s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 392.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120761126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).