(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C15H19Cl2N3O2 — CID 97241938

IUPAC(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-18-14(21)13-3-2-6-20(13)15(22)19-5-4-10-7-11(16)9-12(17)8-10/h7-9,13H,2-6H2,1H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeySJHBFEMKCINNOF-ZDUSSCGKSA-N
MW344.24 g/mol
LogP2.46
Rot. Bonds4

About (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 97241938) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID97241938
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-18-14(21)13-3-2-6-20(13)15(22)19-5-4-10-7-11(16)9-12(17)8-10/h7-9,13H,2-6H2,1H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeySJHBFEMKCINNOF-ZDUSSCGKSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241968
(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 97238094
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
(2S)-1-N-[(6-methoxynaphthalen-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97209324
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437
1-cyclohexyl-3-[2-(3,5-dichlorophenyl)ethyl]-1-methylurea
CID 60593250

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 97241938) is (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)[C@@H]1CCCN1C(=O)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is SJHBFEMKCINNOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-18-14(21)13-3-2-6-20(13)15(22)19-5-4-10-7-11(16)9-12(17)8-10/h7-9,13H,2-6H2,1H3,(H,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97241938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).