(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide

C19H26ClN3O2 — CID 70708310

IUPAC(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H26ClN3O2/c1-22-17(24)16-11-15(21)12-23(16)18(25)19(9-3-2-4-10-19)13-5-7-14(20)8-6-13/h5-8,15-16H,2-4,9-12,21H2,1H3,(H,22,24)/t15-,16+/m1/s1
InChIKeyDXXPHQOTRXPUHE-CVEARBPZSA-N
MW363.89 g/mol
LogP2.22
Rot. Bonds3

About (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 70708310) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID70708310
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H26ClN3O2/c1-22-17(24)16-11-15(21)12-23(16)18(25)19(9-3-2-4-10-19)13-5-7-14(20)8-6-13/h5-8,15-16H,2-4,9-12,21H2,1H3,(H,22,24)/t15-,16+/m1/s1
InChIKeyDXXPHQOTRXPUHE-CVEARBPZSA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide (CID 70708310) is (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DXXPHQOTRXPUHE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-22-17(24)16-11-15(21)12-23(16)18(25)19(9-3-2-4-10-19)13-5-7-14(20)8-6-13/h5-8,15-16H,2-4,9-12,21H2,1H3,(H,22,24)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).