(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide

C19H16F2N2O4 — CID 26954259

IUPAC(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H16F2N2O4/c20-19(21)26-15-7-6-14(9-16(15)27-19)22-18(25)13-8-17(24)23(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,22,25)/t13-/m1/s1
InChIKeyOVSXQHXVJZJHRG-CYBMUJFWSA-N
MW374.34 g/mol
LogP3.00
Rot. Bonds4

About (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 26954259) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID26954259
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H16F2N2O4/c20-19(21)26-15-7-6-14(9-16(15)27-19)22-18(25)13-8-17(24)23(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,22,25)/t13-/m1/s1
InChIKeyOVSXQHXVJZJHRG-CYBMUJFWSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257
1-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24819833
1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 86913721
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
CID 8893980
(3R)-1-benzyl-N-[4-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8502653
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
N-(1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183494
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 26954259) is (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OVSXQHXVJZJHRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c20-19(21)26-15-7-6-14(9-16(15)27-19)22-18(25)13-8-17(24)23(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26954259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).