N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide

C19H20Cl2N2O6 — CID 1326073

IUPACN,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide
SMILESCOc1cc(OC)c(NC(=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1Cl
InChIInChI=1S/C19H20Cl2N2O6/c1-26-14-7-16(28-3)12(5-10(14)20)22-18(24)9-19(25)23-13-6-11(21)15(27-2)8-17(13)29-4/h5-8H,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDWFFQMKKAHCIJT-UHFFFAOYSA-N
MW443.28 g/mol
LogP4.00
Rot. Bonds8

About N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide

N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide (PubChem CID 1326073) has the molecular formula C19H20Cl2N2O6 and a molecular weight of 443.28 g/mol. Its IUPAC name is N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide
PubChem CID1326073
Molecular FormulaC19H20Cl2N2O6
Molecular Weight443.28 g/mol
Exact Mass442.07
IUPAC NameN,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide
SMILESCOc1cc(OC)c(NC(=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1Cl
InChIInChI=1S/C19H20Cl2N2O6/c1-26-14-7-16(28-3)12(5-10(14)20)22-18(24)9-19(25)23-13-6-11(21)15(27-2)8-17(13)29-4/h5-8H,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDWFFQMKKAHCIJT-UHFFFAOYSA-N
XLogP4.00
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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(5-chloro-2,4-dimethoxyphenyl)propanediamide?
The IUPAC name of N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide (CID 1326073) is N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide?
The canonical SMILES for N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide is COc1cc(OC)c(NC(=O)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1Cl.
What is the InChIKey of N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide?
The InChIKey is DWFFQMKKAHCIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O6/c1-26-14-7-16(28-3)12(5-10(14)20)22-18(24)9-19(25)23-13-6-11(21)15(27-2)8-17(13)29-4/h5-8H,9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide?
N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide has a molecular weight of 443.28 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-chloro-2,4-dimethoxyphenyl)propanediamide is sourced from PubChem (CID 1326073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).