N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide

C15H12IN3O3 — CID 9014822

IUPACN-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1
InChIInChI=1S/C15H12IN3O3/c1-10(11-2-6-13(16)7-3-11)17-18-15(20)12-4-8-14(9-5-12)19(21)22/h2-9H,1H3,(H,18,20)/b17-10-
InChIKeyHSHFFWQBBJGVGQ-YVLHZVERSA-N
MW409.18 g/mol
LogP3.35
Rot. Bonds4

About N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide

N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide (PubChem CID 9014822) has the molecular formula C15H12IN3O3 and a molecular weight of 409.18 g/mol. Its IUPAC name is N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
PubChem CID9014822
Molecular FormulaC15H12IN3O3
Molecular Weight409.18 g/mol
Exact Mass408.99
IUPAC NameN-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1
InChIInChI=1S/C15H12IN3O3/c1-10(11-2-6-13(16)7-3-11)17-18-15(20)12-4-8-14(9-5-12)19(21)22/h2-9H,1H3,(H,18,20)/b17-10-
InChIKeyHSHFFWQBBJGVGQ-YVLHZVERSA-N
XLogP3.35
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide 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

N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
4-nitro-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4194720
4-nitro-N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6974910
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
N-[(E)-1-[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-4-nitrobenzamide
CID 137035235
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide (CID 9014822) is N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide is C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1.
What is the InChIKey of N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide?
The InChIKey is HSHFFWQBBJGVGQ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H12IN3O3/c1-10(11-2-6-13(16)7-3-11)17-18-15(20)12-4-8-14(9-5-12)19(21)22/h2-9H,1H3,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide?
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide has a molecular weight of 409.18 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 9014822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).