(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide

C11H13ClN2O — CID 68794624

IUPAC(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15/h1-4,9-10,14H,5-6H2,(H2,13,15)/t9-,10+/m0/s1
InChIKeyJMERPRVSHJZDLW-VHSXEESVSA-N
MW224.69 g/mol
LogP1.13
Rot. Bonds2

About (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide

(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 68794624) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
PubChem CID68794624
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15/h1-4,9-10,14H,5-6H2,(H2,13,15)/t9-,10+/m0/s1
InChIKeyJMERPRVSHJZDLW-VHSXEESVSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (CID 68794624) is (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is JMERPRVSHJZDLW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15/h1-4,9-10,14H,5-6H2,(H2,13,15)/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide?
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 68794624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).