N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide

C19H17ClN2O3 — CID 123724704

IUPACN-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3ccc(Cl)cc3)c2)C(=O)C1=O
InChIInChI=1S/C19H17ClN2O3/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-3-2-4-14(9-12)13-5-7-15(20)8-6-13/h2-9,16H,10-11H2,1H3,(H,21,24)
InChIKeyUEZJNXQQKZVHNB-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.28
Rot. Bonds4

About N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide

N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 123724704) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID123724704
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3ccc(Cl)cc3)c2)C(=O)C1=O
InChIInChI=1S/C19H17ClN2O3/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-3-2-4-14(9-12)13-5-7-15(20)8-6-13/h2-9,16H,10-11H2,1H3,(H,21,24)
InChIKeyUEZJNXQQKZVHNB-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (CID 123724704) is N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCc2cccc(-c3ccc(Cl)cc3)c2)C(=O)C1=O.
What is the InChIKey of N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is UEZJNXQQKZVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-3-2-4-14(9-12)13-5-7-15(20)8-6-13/h2-9,16H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123724704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).