N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20Cl2N2O2 — CID 113183635

IUPACN-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C20H20Cl2N2O2/c21-17-6-3-4-14(10-17)8-9-23-20(26)16-11-19(25)24(13-16)12-15-5-1-2-7-18(15)22/h1-7,10,16H,8-9,11-13H2,(H,23,26)
InChIKeyMBSHCYPBKHUASP-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183635) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183635
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C20H20Cl2N2O2/c21-17-6-3-4-14(10-17)8-9-23-20(26)16-11-19(25)24(13-16)12-15-5-1-2-7-18(15)22/h1-7,10,16H,8-9,11-13H2,(H,23,26)
InChIKeyMBSHCYPBKHUASP-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183307
N-[2-(3-chlorophenyl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185316
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
[2-oxo-2-(2-phenylethylamino)ethyl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 7798704
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186297
N-[2-(3-chlorophenyl)ethyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186056

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183635) is N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MBSHCYPBKHUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-17-6-3-4-14(10-17)8-9-23-20(26)16-11-19(25)24(13-16)12-15-5-1-2-7-18(15)22/h1-7,10,16H,8-9,11-13H2,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).