(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

C11H13ClN2O — CID 70876168

IUPAC(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-8-3-5-9(6-4-8)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)/t10-/m0/s1
InChIKeyJKPYMLLXKQOLNQ-JTQLQIEISA-N
MW224.69 g/mol
LogP1.79
Rot. Bonds2

About (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 70876168) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID70876168
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-8-3-5-9(6-4-8)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)/t10-/m0/s1
InChIKeyJKPYMLLXKQOLNQ-JTQLQIEISA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (CID 70876168) is (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is JKPYMLLXKQOLNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-8-3-5-9(6-4-8)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)/t10-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70876168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).