N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide

C26H29ClN2O2 — CID 23544305

IUPACN-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide
SMILESO=C(NCCCCc1ccc(Cl)cc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C26H29ClN2O2/c27-23-12-8-20(9-13-23)5-3-4-17-29-26(31)25-7-2-1-6-22(25)19-28-18-16-21-10-14-24(30)15-11-21/h1-2,6-15,28,30H,3-5,16-19H2,(H,29,31)
InChIKeyRMDZIIOFDNVKFH-UHFFFAOYSA-N
MW436.98 g/mol
LogP5.13
Rot. Bonds11

About N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide

N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide (PubChem CID 23544305) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide
PubChem CID23544305
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC NameN-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide
SMILESO=C(NCCCCc1ccc(Cl)cc1)c1ccccc1CNCCc1ccc(O)cc1
InChIInChI=1S/C26H29ClN2O2/c27-23-12-8-20(9-13-23)5-3-4-17-29-26(31)25-7-2-1-6-22(25)19-28-18-16-21-10-14-24(30)15-11-21/h1-2,6-15,28,30H,3-5,16-19H2,(H,29,31)
InChIKeyRMDZIIOFDNVKFH-UHFFFAOYSA-N
XLogP5.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide (CID 23544305) is N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide is O=C(NCCCCc1ccc(Cl)cc1)c1ccccc1CNCCc1ccc(O)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide?
The InChIKey is RMDZIIOFDNVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2/c27-23-12-8-20(9-13-23)5-3-4-17-29-26(31)25-7-2-1-6-22(25)19-28-18-16-21-10-14-24(30)15-11-21/h1-2,6-15,28,30H,3-5,16-19H2,(H,29,31).
What are the key properties of N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide?
N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide has a molecular weight of 436.98 g/mol, XLogP of 5.13, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)butyl]-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 23544305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).