N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C20H20Cl2N2O2 — CID 4573991

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C20H20Cl2N2O2/c21-16-7-5-14(6-8-16)11-12-23-20(26)18-9-10-19(25)24(18)13-15-3-1-2-4-17(15)22/h1-8,18H,9-13H2,(H,23,26)
InChIKeyRBFCHDVJIVPNKK-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 4573991) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID4573991
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C20H20Cl2N2O2/c21-16-7-5-14(6-8-16)11-12-23-20(26)18-9-10-19(25)24(18)13-15-3-1-2-4-17(15)22/h1-8,18H,9-13H2,(H,23,26)
InChIKeyRBFCHDVJIVPNKK-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 4573991) is N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RBFCHDVJIVPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-7-5-14(6-8-16)11-12-23-20(26)18-9-10-19(25)24(18)13-15-3-1-2-4-17(15)22/h1-8,18H,9-13H2,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4573991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).