(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C16H20Cl2N2O2 — CID 67609073

IUPAC(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-10(2)20-14(21)6-7-16(20,3)15(22)19-9-11-4-5-12(17)8-13(11)18/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyFLGXJSSGWNINOD-INIZCTEOSA-N
MW343.25 g/mol
LogP3.40
Rot. Bonds4

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

(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 67609073) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID67609073
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-10(2)20-14(21)6-7-16(20,3)15(22)19-9-11-4-5-12(17)8-13(11)18/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyFLGXJSSGWNINOD-INIZCTEOSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.40
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]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 67609073) is (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is FLGXJSSGWNINOD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-10(2)20-14(21)6-7-16(20,3)15(22)19-9-11-4-5-12(17)8-13(11)18/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.40, 4 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]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67609073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).