(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione

C18H17ClN2O2 — CID 708153

IUPAC(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-14-8-6-13(7-9-14)10-11-20-16-12-17(22)21(18(16)23)15-4-2-1-3-5-15/h1-9,16,20H,10-12H2/t16-/m1/s1
InChIKeyQQPSIMCQRQXJSW-MRXNPFEDSA-N
MW328.80 g/mol
LogP2.80
Rot. Bonds5

About (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione

(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 708153) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID708153
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-14-8-6-13(7-9-14)10-11-20-16-12-17(22)21(18(16)23)15-4-2-1-3-5-15/h1-9,16,20H,10-12H2/t16-/m1/s1
InChIKeyQQPSIMCQRQXJSW-MRXNPFEDSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
1-(4-chlorophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 2961815
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione (CID 708153) is (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione is O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is QQPSIMCQRQXJSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-14-8-6-13(7-9-14)10-11-20-16-12-17(22)21(18(16)23)15-4-2-1-3-5-15/h1-9,16,20H,10-12H2/t16-/m1/s1.
What are the key properties of (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 328.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 708153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).