5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one

C21H19ClN2O3 — CID 155933500

IUPAC5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one
SMILESNC1(C(=O)N2CCCC2)OC(=O)C(c2ccc(Cl)cc2)=C1c1ccccc1
InChIInChI=1S/C21H19ClN2O3/c22-16-10-8-14(9-11-16)17-18(15-6-2-1-3-7-15)21(23,27-19(17)25)20(26)24-12-4-5-13-24/h1-3,6-11H,4-5,12-13,23H2
InChIKeyUNDHHOFJHBBEQM-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.09
Rot. Bonds3

About 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one

5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one (PubChem CID 155933500) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one
PubChem CID155933500
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one
SMILESNC1(C(=O)N2CCCC2)OC(=O)C(c2ccc(Cl)cc2)=C1c1ccccc1
InChIInChI=1S/C21H19ClN2O3/c22-16-10-8-14(9-11-16)17-18(15-6-2-1-3-7-15)21(23,27-19(17)25)20(26)24-12-4-5-13-24/h1-3,6-11H,4-5,12-13,23H2
InChIKeyUNDHHOFJHBBEQM-UHFFFAOYSA-N
XLogP3.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one
CID 132532149
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91634623
(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 71662629
(2-fluoro-3-phenylazirin-2-yl)-pyrrolidin-1-ylmethanone
CID 146169171
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 113201440
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
1-(4-chlorophenyl)-2-[[4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 68770758

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one?
The IUPAC name of 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one (CID 155933500) is 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one is NC1(C(=O)N2CCCC2)OC(=O)C(c2ccc(Cl)cc2)=C1c1ccccc1.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one?
The InChIKey is UNDHHOFJHBBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-16-10-8-14(9-11-16)17-18(15-6-2-1-3-7-15)21(23,27-19(17)25)20(26)24-12-4-5-13-24/h1-3,6-11H,4-5,12-13,23H2.
What are the key properties of 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one?
5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one has a molecular weight of 382.85 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)-4-phenyl-5-(pyrrolidine-1-carbonyl)furan-2-one is sourced from PubChem (CID 155933500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).