4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide

C29H26Cl2N2O2 — CID 44532927

IUPAC4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide
SMILESCN(C)CCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccc1-c1ccccc1
InChIInChI=1S/C29H26Cl2N2O2/c1-33(2)16-17-35-28-19-24(13-15-26(28)20-6-4-3-5-7-20)32-29(34)22-10-8-21(9-11-22)25-14-12-23(30)18-27(25)31/h3-15,18-19H,16-17H2,1-2H3,(H,32,34)
InChIKeyKLUQCKXQCZDUAJ-UHFFFAOYSA-N
MW505.45 g/mol
LogP7.52
Rot. Bonds8

About 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide

4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide (PubChem CID 44532927) has the molecular formula C29H26Cl2N2O2 and a molecular weight of 505.45 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide
PubChem CID44532927
Molecular FormulaC29H26Cl2N2O2
Molecular Weight505.45 g/mol
Exact Mass504.14
IUPAC Name4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide
SMILESCN(C)CCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccc1-c1ccccc1
InChIInChI=1S/C29H26Cl2N2O2/c1-33(2)16-17-35-28-19-24(13-15-26(28)20-6-4-3-5-7-20)32-29(34)22-10-8-21(9-11-22)25-14-12-23(30)18-27(25)31/h3-15,18-19H,16-17H2,1-2H3,(H,32,34)
InChIKeyKLUQCKXQCZDUAJ-UHFFFAOYSA-N
XLogP7.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.45
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide (CID 44532927) is 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide is CN(C)CCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccc1-c1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide?
The InChIKey is KLUQCKXQCZDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O2/c1-33(2)16-17-35-28-19-24(13-15-26(28)20-6-4-3-5-7-20)32-29(34)22-10-8-21(9-11-22)25-14-12-23(30)18-27(25)31/h3-15,18-19H,16-17H2,1-2H3,(H,32,34).
What are the key properties of 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide?
4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide has a molecular weight of 505.45 g/mol, XLogP of 7.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-phenylphenyl]benzamide is sourced from PubChem (CID 44532927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).