N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide

C14H12Cl2N2O4 — CID 88752656

IUPACN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide
SMILESC=CCON(C=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C14H12Cl2N2O4/c1-2-3-22-17(8-19)12-7-13(20)18(14(12)21)11-5-9(15)4-10(16)6-11/h2,4-6,8,12H,1,3,7H2
InChIKeyAMISGSYBSDTVGJ-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.20
Rot. Bonds6

About N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide

N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide (PubChem CID 88752656) has the molecular formula C14H12Cl2N2O4 and a molecular weight of 343.17 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide
PubChem CID88752656
Molecular FormulaC14H12Cl2N2O4
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC NameN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide
SMILESC=CCON(C=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C14H12Cl2N2O4/c1-2-3-22-17(8-19)12-7-13(20)18(14(12)21)11-5-9(15)4-10(16)6-11/h2,4-6,8,12H,1,3,7H2
InChIKeyAMISGSYBSDTVGJ-UHFFFAOYSA-N
XLogP2.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide?
The IUPAC name of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide (CID 88752656) is N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide is C=CCON(C=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide?
The InChIKey is AMISGSYBSDTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4/c1-2-3-22-17(8-19)12-7-13(20)18(14(12)21)11-5-9(15)4-10(16)6-11/h2,4-6,8,12H,1,3,7H2.
What are the key properties of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide?
N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide has a molecular weight of 343.17 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enoxyformamide is sourced from PubChem (CID 88752656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).