(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide

C26H28ClN3O2 — CID 143615138

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H28ClN3O2/c1-18(22-10-5-8-20-7-3-4-9-23(20)22)28-26(32)30-16-6-11-24(30)25(31)29(2)17-19-12-14-21(27)15-13-19/h3-5,7-10,12-15,18,24H,6,11,16-17H2,1-2H3,(H,28,32)/t18-,24-/m1/s1
InChIKeyMDFXUBIFNXSZJC-HOYKHHGWSA-N
MW449.98 g/mol
LogP5.39
Rot. Bonds5

About (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 143615138) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID143615138
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H28ClN3O2/c1-18(22-10-5-8-20-7-3-4-9-23(20)22)28-26(32)30-16-6-11-24(30)25(31)29(2)17-19-12-14-21(27)15-13-19/h3-5,7-10,12-15,18,24H,6,11,16-17H2,1-2H3,(H,28,32)/t18-,24-/m1/s1
InChIKeyMDFXUBIFNXSZJC-HOYKHHGWSA-N
XLogP5.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide (CID 143615138) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide is C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is MDFXUBIFNXSZJC-HOYKHHGWSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-18(22-10-5-8-20-7-3-4-9-23(20)22)28-26(32)30-16-6-11-24(30)25(31)29(2)17-19-12-14-21(27)15-13-19/h3-5,7-10,12-15,18,24H,6,11,16-17H2,1-2H3,(H,28,32)/t18-,24-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 449.98 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 143615138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).