N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline

C21H17BrN2 — CID 118705987

IUPACN-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline
SMILESBrc1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2/c22-19-14-11-17(12-15-19)13-16-21(18-7-3-1-4-8-18)24-23-20-9-5-2-6-10-20/h1-16,23H/b16-13+,24-21+
InChIKeyYHPOQDYSTWATGS-BYGMZDCSSA-N
MW377.29 g/mol
LogP5.98
Rot. Bonds5

About N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline

N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline (PubChem CID 118705987) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline
PubChem CID118705987
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC NameN-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline
SMILESBrc1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2/c22-19-14-11-17(12-15-19)13-16-21(18-7-3-1-4-8-18)24-23-20-9-5-2-6-10-20/h1-16,23H/b16-13+,24-21+
InChIKeyYHPOQDYSTWATGS-BYGMZDCSSA-N
XLogP5.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline?
The IUPAC name of N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline (CID 118705987) is N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline is Brc1ccc(/C=C/C(=N\Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline?
The InChIKey is YHPOQDYSTWATGS-BYGMZDCSSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-19-14-11-17(12-15-19)13-16-21(18-7-3-1-4-8-18)24-23-20-9-5-2-6-10-20/h1-16,23H/b16-13+,24-21+.
What are the key properties of N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline?
N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline has a molecular weight of 377.29 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline is sourced from PubChem (CID 118705987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).