2,2-bis(2,3-dichlorophenyl)propanediamide

C15H10Cl4N2O2 — CID 69106750

IUPAC2,2-bis(2,3-dichlorophenyl)propanediamide
SMILESNC(=O)C(C(N)=O)(c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-9-5-1-3-7(11(9)18)15(13(20)22,14(21)23)8-4-2-6-10(17)12(8)19/h1-6H,(H2,20,22)(H2,21,23)
InChIKeyNTABYMFANKANLW-UHFFFAOYSA-N
MW392.07 g/mol
LogP3.56
Rot. Bonds4

About 2,2-bis(2,3-dichlorophenyl)propanediamide

2,2-bis(2,3-dichlorophenyl)propanediamide (PubChem CID 69106750) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is 2,2-bis(2,3-dichlorophenyl)propanediamide.

Molecular Properties

Compound Name2,2-bis(2,3-dichlorophenyl)propanediamide
PubChem CID69106750
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC Name2,2-bis(2,3-dichlorophenyl)propanediamide
SMILESNC(=O)C(C(N)=O)(c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-9-5-1-3-7(11(9)18)15(13(20)22,14(21)23)8-4-2-6-10(17)12(8)19/h1-6H,(H2,20,22)(H2,21,23)
InChIKeyNTABYMFANKANLW-UHFFFAOYSA-N
XLogP3.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,3-dichlorophenyl)propanediamide?
The IUPAC name of 2,2-bis(2,3-dichlorophenyl)propanediamide (CID 69106750) is 2,2-bis(2,3-dichlorophenyl)propanediamide.
What is the SMILES notation for 2,2-bis(2,3-dichlorophenyl)propanediamide?
The canonical SMILES for 2,2-bis(2,3-dichlorophenyl)propanediamide is NC(=O)C(C(N)=O)(c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,2-bis(2,3-dichlorophenyl)propanediamide?
The InChIKey is NTABYMFANKANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-9-5-1-3-7(11(9)18)15(13(20)22,14(21)23)8-4-2-6-10(17)12(8)19/h1-6H,(H2,20,22)(H2,21,23).
What are the key properties of 2,2-bis(2,3-dichlorophenyl)propanediamide?
2,2-bis(2,3-dichlorophenyl)propanediamide has a molecular weight of 392.07 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,3-dichlorophenyl)propanediamide is sourced from PubChem (CID 69106750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).