(2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

C20H18ClF3N2O2 — CID 67463195

IUPAC(2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18ClF3N2O2/c21-18-14(7-4-8-15(18)20(22,23)24)11-25-19(28)16-9-10-17(27)26(16)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1
InChIKeySIHWHBDEWHCWCW-MRXNPFEDSA-N
MW410.82 g/mol
LogP4.17
Rot. Bonds5

About (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

(2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67463195) has the molecular formula C20H18ClF3N2O2 and a molecular weight of 410.82 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67463195
Molecular FormulaC20H18ClF3N2O2
Molecular Weight410.82 g/mol
Exact Mass410.10
IUPAC Name(2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H18ClF3N2O2/c21-18-14(7-4-8-15(18)20(22,23)24)11-25-19(28)16-9-10-17(27)26(16)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1
InChIKeySIHWHBDEWHCWCW-MRXNPFEDSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Gsk1370319A
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(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
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CID 71449446
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
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N-{[1-(4-Chloro-benzyl)-pyrrolidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
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CCR2 antagonist 4
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 67463195) is (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SIHWHBDEWHCWCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18ClF3N2O2/c21-18-14(7-4-8-15(18)20(22,23)24)11-25-19(28)16-9-10-17(27)26(16)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 410.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67463195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).