(2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C15H18Cl2N2O2 — CID 68582057

IUPAC(2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)19-12(6-7-13(19)20)15(21)18-8-10-4-3-5-11(16)14(10)17/h3-5,9,12H,6-8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyQWRGJFFLJPDGLD-LBPRGKRZSA-N
MW329.23 g/mol
LogP3.01
Rot. Bonds4

About (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 68582057) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID68582057
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-9(2)19-12(6-7-13(19)20)15(21)18-8-10-4-3-5-11(16)14(10)17/h3-5,9,12H,6-8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyQWRGJFFLJPDGLD-LBPRGKRZSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
CID 23649427
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
PF-184298
CID 11392888
m-Chlorobenzylamide, 2
CID 44237081
Gsk1370319A
CID 67461788
(S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 10744643
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
Gsk 1482160;gsk1482160
CID 45273136
m-Chlorobenzylamide, 7
CID 44237086
D-Phenylalanyl-N-(2,5-Dichlorobenzyl)-L-Prolinamide
CID 71449446
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
(S)-1-[(S)-3-Cyclohexyl-3-(diethylcarbamoylmethyl-amino)-propionyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide
CID 44326592

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 68582057) is (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1Cl.
What is the InChIKey of (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QWRGJFFLJPDGLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-9(2)19-12(6-7-13(19)20)15(21)18-8-10-4-3-5-11(16)14(10)17/h3-5,9,12H,6-8H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,3-dichlorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 68582057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).