N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

C18H15Cl2N3O2 — CID 6894388

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-7-6-13(16(20)10-14)11-21-22-18(25)12-3-1-4-15(9-12)23-8-2-5-17(23)24/h1,3-4,6-7,9-11H,2,5,8H2,(H,22,25)/b21-11+
InChIKeyZPGJCUALYHHASE-SRZZPIQSSA-N
MW376.24 g/mol
LogP3.88
Rot. Bonds4

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 6894388) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID6894388
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-7-6-13(16(20)10-14)11-21-22-18(25)12-3-1-4-15(9-12)23-8-2-5-17(23)24/h1,3-4,6-7,9-11H,2,5,8H2,(H,22,25)/b21-11+
InChIKeyZPGJCUALYHHASE-SRZZPIQSSA-N
XLogP3.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 6894388) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZPGJCUALYHHASE-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-14-7-6-13(16(20)10-14)11-21-22-18(25)12-3-1-4-15(9-12)23-8-2-5-17(23)24/h1,3-4,6-7,9-11H,2,5,8H2,(H,22,25)/b21-11+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 376.24 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 6894388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).