(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C16H14Cl2N2O3 — CID 9004622

IUPAC(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-3-4-13(18)14(7-11)20-9-10(6-15(20)21)16(22)19-8-12-2-1-5-23-12/h1-5,7,10H,6,8-9H2,(H,19,22)/t10-/m0/s1
InChIKeyMIWNRMQQYQHTIH-JTQLQIEISA-N
MW353.21 g/mol
LogP3.26
Rot. Bonds4

About (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9004622) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9004622
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-3-4-13(18)14(7-11)20-9-10(6-15(20)21)16(22)19-8-12-2-1-5-23-12/h1-5,7,10H,6,8-9H2,(H,19,22)/t10-/m0/s1
InChIKeyMIWNRMQQYQHTIH-JTQLQIEISA-N
XLogP3.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188537
(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 99158648
1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
1-(2,5-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113191068
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190089
1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048703
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
(3R)-N-(furan-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056656
(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004637

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 9004622) is (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccco1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MIWNRMQQYQHTIH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-3-4-13(18)14(7-11)20-9-10(6-15(20)21)16(22)19-8-12-2-1-5-23-12/h1-5,7,10H,6,8-9H2,(H,19,22)/t10-/m0/s1.
What are the key properties of (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9004622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).