(E)-N'-(2-chlorophenyl)but-2-enediamide

C10H9ClN2O2 — CID 766033

IUPAC(E)-N'-(2-chlorophenyl)but-2-enediamide
SMILESNC(=O)/C=C/C(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-2-4-8(7)13-10(15)6-5-9(12)14/h1-6H,(H2,12,14)(H,13,15)/b6-5+
InChIKeyJSJRBJRXVXUQLB-AATRIKPKSA-N
MW224.65 g/mol
LogP1.32
Rot. Bonds3

About (E)-N'-(2-chlorophenyl)but-2-enediamide

(E)-N'-(2-chlorophenyl)but-2-enediamide (PubChem CID 766033) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (E)-N'-(2-chlorophenyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N'-(2-chlorophenyl)but-2-enediamide
PubChem CID766033
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(E)-N'-(2-chlorophenyl)but-2-enediamide
SMILESNC(=O)/C=C/C(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-2-4-8(7)13-10(15)6-5-9(12)14/h1-6H,(H2,12,14)(H,13,15)/b6-5+
InChIKeyJSJRBJRXVXUQLB-AATRIKPKSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-chlorophenyl)but-2-enediamide?
The IUPAC name of (E)-N'-(2-chlorophenyl)but-2-enediamide (CID 766033) is (E)-N'-(2-chlorophenyl)but-2-enediamide.
What is the SMILES notation for (E)-N'-(2-chlorophenyl)but-2-enediamide?
The canonical SMILES for (E)-N'-(2-chlorophenyl)but-2-enediamide is NC(=O)/C=C/C(=O)Nc1ccccc1Cl.
What is the InChIKey of (E)-N'-(2-chlorophenyl)but-2-enediamide?
The InChIKey is JSJRBJRXVXUQLB-AATRIKPKSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-7-3-1-2-4-8(7)13-10(15)6-5-9(12)14/h1-6H,(H2,12,14)(H,13,15)/b6-5+.
What are the key properties of (E)-N'-(2-chlorophenyl)but-2-enediamide?
(E)-N'-(2-chlorophenyl)but-2-enediamide has a molecular weight of 224.65 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-chlorophenyl)but-2-enediamide is sourced from PubChem (CID 766033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).