(2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide

C22H29ClN2O — CID 46888841

IUPAC(2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1
InChIKeyVRELHTNUDCPQTL-SGRZJPDBSA-N
MW372.94 g/mol
LogP4.25
Rot. Bonds4

About (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 46888841) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID46888841
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name(2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1
InChIKeyVRELHTNUDCPQTL-SGRZJPDBSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide (CID 46888841) is (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VRELHTNUDCPQTL-SGRZJPDBSA-N. The full InChI is InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 372.94 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46888841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).