2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide

C11H8Cl2N2O5 — CID 70489963

IUPAC2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide
SMILESO=CNC(=O)C(O)(C(=O)NC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O5/c12-7-2-1-6(3-8(7)13)11(20,9(18)14-4-16)10(19)15-5-17/h1-5,20H,(H,14,16,18)(H,15,17,19)
InChIKeyJPBOIRGVOQUSMM-UHFFFAOYSA-N
MW319.10 g/mol
LogP-0.27
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide

2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide (PubChem CID 70489963) has the molecular formula C11H8Cl2N2O5 and a molecular weight of 319.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide
PubChem CID70489963
Molecular FormulaC11H8Cl2N2O5
Molecular Weight319.10 g/mol
Exact Mass317.98
IUPAC Name2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide
SMILESO=CNC(=O)C(O)(C(=O)NC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O5/c12-7-2-1-6(3-8(7)13)11(20,9(18)14-4-16)10(19)15-5-17/h1-5,20H,(H,14,16,18)(H,15,17,19)
InChIKeyJPBOIRGVOQUSMM-UHFFFAOYSA-N
XLogP-0.27
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide (CID 70489963) is 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide is O=CNC(=O)C(O)(C(=O)NC=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide?
The InChIKey is JPBOIRGVOQUSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O5/c12-7-2-1-6(3-8(7)13)11(20,9(18)14-4-16)10(19)15-5-17/h1-5,20H,(H,14,16,18)(H,15,17,19).
What are the key properties of 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide?
2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide has a molecular weight of 319.10 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide is sourced from PubChem (CID 70489963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).