N,N'-bis[(4-chlorophenyl)methyl]propanediamide

C17H16Cl2N2O2 — CID 2404770

IUPACN,N'-bis[(4-chlorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyGGYWOIPZKODLIC-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.32
Rot. Bonds6

About N,N'-bis[(4-chlorophenyl)methyl]propanediamide

N,N'-bis[(4-chlorophenyl)methyl]propanediamide (PubChem CID 2404770) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N,N'-bis[(4-chlorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-chlorophenyl)methyl]propanediamide
PubChem CID2404770
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN,N'-bis[(4-chlorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyGGYWOIPZKODLIC-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.32
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 N,N'-bis[(4-chlorophenyl)methyl]propanediamide?
The IUPAC name of N,N'-bis[(4-chlorophenyl)methyl]propanediamide (CID 2404770) is N,N'-bis[(4-chlorophenyl)methyl]propanediamide.
What is the SMILES notation for N,N'-bis[(4-chlorophenyl)methyl]propanediamide?
The canonical SMILES for N,N'-bis[(4-chlorophenyl)methyl]propanediamide is O=C(CC(=O)NCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N,N'-bis[(4-chlorophenyl)methyl]propanediamide?
The InChIKey is GGYWOIPZKODLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis[(4-chlorophenyl)methyl]propanediamide?
N,N'-bis[(4-chlorophenyl)methyl]propanediamide has a molecular weight of 351.23 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-chlorophenyl)methyl]propanediamide is sourced from PubChem (CID 2404770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).