(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H18Cl2N2O3 — CID 30135344

IUPAC(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl2N2O3/c20-14-1-5-16(6-2-14)23-12-13(11-18(23)24)19(25)22-9-10-26-17-7-3-15(21)4-8-17/h1-8,13H,9-12H2,(H,22,25)/t13-/m1/s1
InChIKeyVXAYUMTYWUSNSS-CYBMUJFWSA-N
MW393.27 g/mol
LogP3.54
Rot. Bonds6

About (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 30135344) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID30135344
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl2N2O3/c20-14-1-5-16(6-2-14)23-12-13(11-18(23)24)19(25)22-9-10-26-17-7-3-15(21)4-8-17/h1-8,13H,9-12H2,(H,22,25)/t13-/m1/s1
InChIKeyVXAYUMTYWUSNSS-CYBMUJFWSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-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

Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
N-[2-(4-fluorophenoxy)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46599827
(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29130407
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
1-(4-chlorophenyl)-5-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxamide
CID 87016245
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 30135344) is (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCOc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXAYUMTYWUSNSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-14-1-5-16(6-2-14)23-12-13(11-18(23)24)19(25)22-9-10-26-17-7-3-15(21)4-8-17/h1-8,13H,9-12H2,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 30135344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).