N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide

C24H23Cl2NO3 — CID 71455899

IUPACN-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide
SMILESCCOc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OCC)c3)c2)c1
InChIInChI=1S/C24H23Cl2NO3/c1-3-29-21-9-5-7-16(14-21)18-11-19(13-20(12-18)27-24(28)23(25)26)17-8-6-10-22(15-17)30-4-2/h5-15,23H,3-4H2,1-2H3,(H,27,28)
InChIKeyZNMXWGCFSMQETN-UHFFFAOYSA-N
MW444.36 g/mol
LogP6.56
Rot. Bonds8

About N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide

N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide (PubChem CID 71455899) has the molecular formula C24H23Cl2NO3 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide
PubChem CID71455899
Molecular FormulaC24H23Cl2NO3
Molecular Weight444.36 g/mol
Exact Mass443.11
IUPAC NameN-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide
SMILESCCOc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OCC)c3)c2)c1
InChIInChI=1S/C24H23Cl2NO3/c1-3-29-21-9-5-7-16(14-21)18-11-19(13-20(12-18)27-24(28)23(25)26)17-8-6-10-22(15-17)30-4-2/h5-15,23H,3-4H2,1-2H3,(H,27,28)
InChIKeyZNMXWGCFSMQETN-UHFFFAOYSA-N
XLogP6.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide?
The IUPAC name of N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide (CID 71455899) is N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide.
What is the SMILES notation for N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide?
The canonical SMILES for N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide is CCOc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OCC)c3)c2)c1.
What is the InChIKey of N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide?
The InChIKey is ZNMXWGCFSMQETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO3/c1-3-29-21-9-5-7-16(14-21)18-11-19(13-20(12-18)27-24(28)23(25)26)17-8-6-10-22(15-17)30-4-2/h5-15,23H,3-4H2,1-2H3,(H,27,28).
What are the key properties of N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide?
N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide has a molecular weight of 444.36 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(3-ethoxyphenyl)phenyl]-2,2-dichloroacetamide is sourced from PubChem (CID 71455899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).