(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C17H15Cl2NO4 — CID 7577913

IUPAC(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H15Cl2NO4/c18-14-4-3-11(6-15(14)19)10-24-17(22)12-7-16(21)20(8-12)9-13-2-1-5-23-13/h1-6,12H,7-10H2/t12-/m1/s1
InChIKeyDZJYBXGQIXBZPW-GFCCVEGCSA-N
MW368.22 g/mol
LogP3.68
Rot. Bonds5

About (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7577913) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7577913
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H15Cl2NO4/c18-14-4-3-11(6-15(14)19)10-24-17(22)12-7-16(21)20(8-12)9-13-2-1-5-23-13/h1-6,12H,7-10H2/t12-/m1/s1
InChIKeyDZJYBXGQIXBZPW-GFCCVEGCSA-N
XLogP3.68
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576658
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578591
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
[2-(benzylamino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578938
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578688
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578239
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 47004312
cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78780948
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 7577913) is (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DZJYBXGQIXBZPW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c18-14-4-3-11(6-15(14)19)10-24-17(22)12-7-16(21)20(8-12)9-13-2-1-5-23-13/h1-6,12H,7-10H2/t12-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 368.22 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7577913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).