1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide

C23H26ClN3O3 — CID 24980383

IUPAC1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H26ClN3O3/c1-3-26(15-21(28)25-20-12-19(24)10-9-16(20)2)23(30)18-11-22(29)27(14-18)13-17-7-5-4-6-8-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,25,28)
InChIKeyVRHKMNBPQOLRCJ-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.48
Rot. Bonds7

About 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 24980383) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID24980383
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H26ClN3O3/c1-3-26(15-21(28)25-20-12-19(24)10-9-16(20)2)23(30)18-11-22(29)27(14-18)13-17-7-5-4-6-8-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,25,28)
InChIKeyVRHKMNBPQOLRCJ-UHFFFAOYSA-N
XLogP3.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 24980383) is 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VRHKMNBPQOLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-3-26(15-21(28)25-20-12-19(24)10-9-16(20)2)23(30)18-11-22(29)27(14-18)13-17-7-5-4-6-8-17/h4-10,12,18H,3,11,13-15H2,1-2H3,(H,25,28).
What are the key properties of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24980383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).