(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H20ClN3O4 — CID 99158648

IUPAC(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C23H20ClN3O4/c24-18-8-2-4-10-20(18)27-14-15(12-21(27)28)22(29)26-19-9-3-1-7-17(19)23(30)25-13-16-6-5-11-31-16/h1-11,15H,12-14H2,(H,25,30)(H,26,29)/t15-/m1/s1
InChIKeyNNZVCJMAXXAYSG-OAHLLOKOSA-N
MW437.88 g/mol
LogP3.85
Rot. Bonds6

About (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 99158648) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID99158648
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C23H20ClN3O4/c24-18-8-2-4-10-20(18)27-14-15(12-21(27)28)22(29)26-19-9-3-1-7-17(19)23(30)25-13-16-6-5-11-31-16/h1-11,15H,12-14H2,(H,25,30)(H,26,29)/t15-/m1/s1
InChIKeyNNZVCJMAXXAYSG-OAHLLOKOSA-N
XLogP3.85
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 43015783
(3R)-N-(2-acetylphenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 8891463
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9004622
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188537
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
(3R)-1-(2-fluorophenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 37004962
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 99158648) is (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NNZVCJMAXXAYSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c24-18-8-2-4-10-20(18)27-14-15(12-21(27)28)22(29)26-19-9-3-1-7-17(19)23(30)25-13-16-6-5-11-31-16/h1-11,15H,12-14H2,(H,25,30)(H,26,29)/t15-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99158648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).