(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C13H14Cl2N2O2 — CID 67461788

IUPAC(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyYMNOJCVLDDTECB-NSHDSACASA-N
MW301.17 g/mol
LogP2.23
Rot. Bonds3

About (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67461788) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67461788
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyYMNOJCVLDDTECB-NSHDSACASA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 67461788) is (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YMNOJCVLDDTECB-NSHDSACASA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67461788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).