(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide

C26H23ClF2N2O2 — CID 134400641

IUPAC(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCN1Cc1c(F)cccc1F
InChIInChI=1S/C26H23ClF2N2O2/c1-26(13-6-14-31(26)16-20-21(28)9-5-10-22(20)29)25(33)30-23-12-11-18(27)15-19(23)24(32)17-7-3-2-4-8-17/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,30,33)/t26-/m1/s1
InChIKeyGPDYYNNSGGEVIM-AREMUKBSSA-N
MW468.93 g/mol
LogP5.84
Rot. Bonds6

About (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide

(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 134400641) has the molecular formula C26H23ClF2N2O2 and a molecular weight of 468.93 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID134400641
Molecular FormulaC26H23ClF2N2O2
Molecular Weight468.93 g/mol
Exact Mass468.14
IUPAC Name(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCN1Cc1c(F)cccc1F
InChIInChI=1S/C26H23ClF2N2O2/c1-26(13-6-14-31(26)16-20-21(28)9-5-10-22(20)29)25(33)30-23-12-11-18(27)15-19(23)24(32)17-7-3-2-4-8-17/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,30,33)/t26-/m1/s1
InChIKeyGPDYYNNSGGEVIM-AREMUKBSSA-N
XLogP5.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.93
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide (CID 134400641) is (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide is C[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCN1Cc1c(F)cccc1F.
What is the InChIKey of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is GPDYYNNSGGEVIM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23ClF2N2O2/c1-26(13-6-14-31(26)16-20-21(28)9-5-10-22(20)29)25(33)30-23-12-11-18(27)15-19(23)24(32)17-7-3-2-4-8-17/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,30,33)/t26-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide?
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 468.93 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134400641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).