N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide

C23H17N5O3 — CID 6109355

IUPACN-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide
SMILESO=C(N/C(=C/c1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C23H17N5O3/c29-23(18-7-3-1-4-8-18)24-22(17-11-13-21(14-12-17)28(30)31)15-19-16-27(26-25-19)20-9-5-2-6-10-20/h1-16H,(H,24,29)/b22-15+
InChIKeyLYOWKGSKXJASHD-PXLXIMEGSA-N
MW411.42 g/mol
LogP4.10
Rot. Bonds6

About N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide

N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide (PubChem CID 6109355) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide
PubChem CID6109355
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC NameN-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide
SMILESO=C(N/C(=C/c1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C23H17N5O3/c29-23(18-7-3-1-4-8-18)24-22(17-11-13-21(14-12-17)28(30)31)15-19-16-27(26-25-19)20-9-5-2-6-10-20/h1-16H,(H,24,29)/b22-15+
InChIKeyLYOWKGSKXJASHD-PXLXIMEGSA-N
XLogP4.10
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-nitro-1-phenyltriazole
CID 15048683
4-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide
CID 22300485
N'-[(E)-1-(4-nitrophenyl)-3-oxobut-1-enyl]benzohydrazide
CID 56697368
1-phenyl-3-(1-phenyltriazol-4-yl)prop-2-en-1-one
CID 2748661
(Z)-2-benzamido-3-(4-nitrophenyl)but-2-enoic acid
CID 819831
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
CID 5387521
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide?
The IUPAC name of N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide (CID 6109355) is N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide.
What is the SMILES notation for N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide?
The canonical SMILES for N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide is O=C(N/C(=C/c1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide?
The InChIKey is LYOWKGSKXJASHD-PXLXIMEGSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-23(18-7-3-1-4-8-18)24-22(17-11-13-21(14-12-17)28(30)31)15-19-16-27(26-25-19)20-9-5-2-6-10-20/h1-16H,(H,24,29)/b22-15+.
What are the key properties of N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide?
N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide has a molecular weight of 411.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-nitrophenyl)-2-(1-phenyltriazol-4-yl)ethenyl]benzamide is sourced from PubChem (CID 6109355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).