1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide

C18H16ClN3O3 — CID 108800108

IUPAC1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1oc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c(C#N)c1C
InChIInChI=1S/C18H16ClN3O3/c1-10-11(2)25-18(15(10)8-20)21-17(24)12-7-16(23)22(9-12)14-5-3-13(19)4-6-14/h3-6,12H,7,9H2,1-2H3,(H,21,24)
InChIKeyUOKAZNYXFQYOJH-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108800108) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108800108
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1oc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c(C#N)c1C
InChIInChI=1S/C18H16ClN3O3/c1-10-11(2)25-18(15(10)8-20)21-17(24)12-7-16(23)22(9-12)14-5-3-13(19)4-6-14/h3-6,12H,7,9H2,1-2H3,(H,21,24)
InChIKeyUOKAZNYXFQYOJH-UHFFFAOYSA-N
XLogP3.41
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108740203
diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 21230126
N-(4-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192017
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2980638
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192015
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 108800108) is 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1oc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c(C#N)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UOKAZNYXFQYOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-10-11(2)25-18(15(10)8-20)21-17(24)12-7-16(23)22(9-12)14-5-3-13(19)4-6-14/h3-6,12H,7,9H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).