2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine

C20H20Cl2N4 — CID 23634976

IUPAC2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESClc1ccc(C(CNC/C=C/c2ccccc2)Cn2cncn2)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4/c21-18-8-9-19(20(22)11-18)17(13-26-15-24-14-25-26)12-23-10-4-7-16-5-2-1-3-6-16/h1-9,11,14-15,17,23H,10,12-13H2/b7-4+
InChIKeyADBXGEMXVPYOFX-QPJJXVBHSA-N
MW387.31 g/mol
LogP4.67
Rot. Bonds8

About 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine

2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 23634976) has the molecular formula C20H20Cl2N4 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID23634976
Molecular FormulaC20H20Cl2N4
Molecular Weight387.31 g/mol
Exact Mass386.11
IUPAC Name2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESClc1ccc(C(CNC/C=C/c2ccccc2)Cn2cncn2)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4/c21-18-8-9-19(20(22)11-18)17(13-26-15-24-14-25-26)12-23-10-4-7-16-5-2-1-3-6-16/h1-9,11,14-15,17,23H,10,12-13H2/b7-4+
InChIKeyADBXGEMXVPYOFX-QPJJXVBHSA-N
XLogP4.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 23634976) is 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine is Clc1ccc(C(CNC/C=C/c2ccccc2)Cn2cncn2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is ADBXGEMXVPYOFX-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H20Cl2N4/c21-18-8-9-19(20(22)11-18)17(13-26-15-24-14-25-26)12-23-10-4-7-16-5-2-1-3-6-16/h1-9,11,14-15,17,23H,10,12-13H2/b7-4+.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 387.31 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(E)-3-phenylprop-2-enyl]-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 23634976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).