(2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C16H18Cl2N2O2 — CID 67461669

IUPAC(2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCC(=O)N1C1CCC1
InChIInChI=1S/C16H18Cl2N2O2/c17-12-6-1-3-10(15(12)18)9-19-16(22)13-7-8-14(21)20(13)11-4-2-5-11/h1,3,6,11,13H,2,4-5,7-9H2,(H,19,22)/t13-/m0/s1
InChIKeyQFWILIDPEZCLHG-ZDUSSCGKSA-N
MW341.24 g/mol
LogP3.15
Rot. Bonds4

About (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67461669) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67461669
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name(2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCC(=O)N1C1CCC1
InChIInChI=1S/C16H18Cl2N2O2/c17-12-6-1-3-10(15(12)18)9-19-16(22)13-7-8-14(21)20(13)11-4-2-5-11/h1,3,6,11,13H,2,4-5,7-9H2,(H,19,22)/t13-/m0/s1
InChIKeyQFWILIDPEZCLHG-ZDUSSCGKSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 67461669) is (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCC(=O)N1C1CCC1.
What is the InChIKey of (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QFWILIDPEZCLHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c17-12-6-1-3-10(15(12)18)9-19-16(22)13-7-8-14(21)20(13)11-4-2-5-11/h1,3,6,11,13H,2,4-5,7-9H2,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobutyl-N-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67461669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).