N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide

C26H18BrN3O — CID 139216238

IUPACN-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1ccc(Br)cc1)C1=Nc2cccc3cccc(c23)N1)c1ccccc1
InChIInChI=1S/C26H18BrN3O/c27-20-14-12-17(13-15-20)16-23(30-26(31)19-6-2-1-3-7-19)25-28-21-10-4-8-18-9-5-11-22(29-25)24(18)21/h1-16H,(H,28,29)(H,30,31)/b23-16-
InChIKeyDAQRUOBJWYWQFM-KQWNVCNZSA-N
MW468.35 g/mol
LogP6.53
Rot. Bonds4

About N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide

N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide (PubChem CID 139216238) has the molecular formula C26H18BrN3O and a molecular weight of 468.35 g/mol. Its IUPAC name is N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide
PubChem CID139216238
Molecular FormulaC26H18BrN3O
Molecular Weight468.35 g/mol
Exact Mass467.06
IUPAC NameN-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1ccc(Br)cc1)C1=Nc2cccc3cccc(c23)N1)c1ccccc1
InChIInChI=1S/C26H18BrN3O/c27-20-14-12-17(13-15-20)16-23(30-26(31)19-6-2-1-3-7-19)25-28-21-10-4-8-18-9-5-11-22(29-25)24(18)21/h1-16H,(H,28,29)(H,30,31)/b23-16-
InChIKeyDAQRUOBJWYWQFM-KQWNVCNZSA-N
XLogP6.53
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Related Compounds

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N-[(Z)-3-(3-bromoanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
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N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide
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N-[1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide?
The IUPAC name of N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide (CID 139216238) is N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide.
What is the SMILES notation for N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide?
The canonical SMILES for N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide is O=C(N/C(=C\c1ccc(Br)cc1)C1=Nc2cccc3cccc(c23)N1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide?
The InChIKey is DAQRUOBJWYWQFM-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H18BrN3O/c27-20-14-12-17(13-15-20)16-23(30-26(31)19-6-2-1-3-7-19)25-28-21-10-4-8-18-9-5-11-22(29-25)24(18)21/h1-16H,(H,28,29)(H,30,31)/b23-16-.
What are the key properties of N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide?
N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide has a molecular weight of 468.35 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-bromophenyl)-1-(1H-perimidin-2-yl)ethenyl]benzamide is sourced from PubChem (CID 139216238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).