(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide

C14H19Cl2N3O — CID 23647091

IUPAC(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide
SMILESCCN(C)C(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1
InChIInChI=1S/C14H19Cl2N3O/c1-3-18(2)14(20)19-7-11(13(17)8-19)10-5-4-9(15)6-12(10)16/h4-6,11,13H,3,7-8,17H2,1-2H3/t11-,13+/m1/s1
InChIKeyOZVGISLZEFJBLP-YPMHNXCESA-N
MW316.23 g/mol
LogP2.79
Rot. Bonds2

About (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide

(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide (PubChem CID 23647091) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide
PubChem CID23647091
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide
SMILESCCN(C)C(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1
InChIInChI=1S/C14H19Cl2N3O/c1-3-18(2)14(20)19-7-11(13(17)8-19)10-5-4-9(15)6-12(10)16/h4-6,11,13H,3,7-8,17H2,1-2H3/t11-,13+/m1/s1
InChIKeyOZVGISLZEFJBLP-YPMHNXCESA-N
XLogP2.79
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide (CID 23647091) is (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide is CCN(C)C(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide?
The InChIKey is OZVGISLZEFJBLP-YPMHNXCESA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-3-18(2)14(20)19-7-11(13(17)8-19)10-5-4-9(15)6-12(10)16/h4-6,11,13H,3,7-8,17H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide?
(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 23647091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).