3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide

C22H19Cl2NO2 — CID 44534355

IUPAC3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C22H19Cl2NO2/c23-18-11-17(12-19(24)14-18)20-13-16(8-9-21(20)26)22(27)25-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-14,26H,4,7,10H2,(H,25,27)
InChIKeyACISXSSJGPKKMX-UHFFFAOYSA-N
MW400.31 g/mol
LogP5.73
Rot. Bonds6

About 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide

3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide (PubChem CID 44534355) has the molecular formula C22H19Cl2NO2 and a molecular weight of 400.31 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide
PubChem CID44534355
Molecular FormulaC22H19Cl2NO2
Molecular Weight400.31 g/mol
Exact Mass399.08
IUPAC Name3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C22H19Cl2NO2/c23-18-11-17(12-19(24)14-18)20-13-16(8-9-21(20)26)22(27)25-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-14,26H,4,7,10H2,(H,25,27)
InChIKeyACISXSSJGPKKMX-UHFFFAOYSA-N
XLogP5.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide (CID 44534355) is 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide?
The InChIKey is ACISXSSJGPKKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO2/c23-18-11-17(12-19(24)14-18)20-13-16(8-9-21(20)26)22(27)25-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-14,26H,4,7,10H2,(H,25,27).
What are the key properties of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide?
3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide has a molecular weight of 400.31 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 44534355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).