(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide

C14H18Cl2N2O2 — CID 128982212

IUPAC(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(CCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-20-10-7-12(14(17)19)18(8-10)6-5-9-3-2-4-11(15)13(9)16/h2-4,10,12H,5-8H2,1H3,(H2,17,19)/t10-,12-/m0/s1
InChIKeyDKQCNRKPACTLAV-JQWIXIFHSA-N
MW317.22 g/mol
LogP2.11
Rot. Bonds5

About (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128982212) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128982212
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(CCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-20-10-7-12(14(17)19)18(8-10)6-5-9-3-2-4-11(15)13(9)16/h2-4,10,12H,5-8H2,1H3,(H2,17,19)/t10-,12-/m0/s1
InChIKeyDKQCNRKPACTLAV-JQWIXIFHSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 128982212) is (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(CCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is DKQCNRKPACTLAV-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-20-10-7-12(14(17)19)18(8-10)6-5-9-3-2-4-11(15)13(9)16/h2-4,10,12H,5-8H2,1H3,(H2,17,19)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128982212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).