(2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide

C26H30ClN3O3 — CID 165416302

IUPAC(2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1
InChIKeyFKSCOWJURPRAGR-JOCHJYFZSA-N
MW468.00 g/mol
LogP3.82
Rot. Bonds6

About (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 165416302) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID165416302
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name(2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1
InChIKeyFKSCOWJURPRAGR-JOCHJYFZSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 165416302) is (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide is CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1.
What is the InChIKey of (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FKSCOWJURPRAGR-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1.
What are the key properties of (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-chlorophenyl)cyclopentanecarbonyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165416302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).