N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide

C15H13IN4O3 — CID 3839390

IUPACN-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C(\N)c2cc(I)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13IN4O3/c1-9(21)18-12-2-4-13(5-3-12)19-15(17)10-6-11(16)8-14(7-10)20(22)23/h2-8H,1H3,(H2,17,19)(H,18,21)
InChIKeyMRJDPAUFVLAABU-UHFFFAOYSA-N
MW424.20 g/mol
LogP3.19
Rot. Bonds4

About N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide

N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide (PubChem CID 3839390) has the molecular formula C15H13IN4O3 and a molecular weight of 424.20 g/mol. Its IUPAC name is N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide
PubChem CID3839390
Molecular FormulaC15H13IN4O3
Molecular Weight424.20 g/mol
Exact Mass424.00
IUPAC NameN-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C(\N)c2cc(I)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13IN4O3/c1-9(21)18-12-2-4-13(5-3-12)19-15(17)10-6-11(16)8-14(7-10)20(22)23/h2-8H,1H3,(H2,17,19)(H,18,21)
InChIKeyMRJDPAUFVLAABU-UHFFFAOYSA-N
XLogP3.19
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.20
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide 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'-benzyl-3-iodo-5-nitrobenzenecarboximidamide;hydrochloride
CID 44783799
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
N'-(4-methylsulfonylphenyl)-3-nitrobenzenecarboximidamide
CID 10829426
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
N-(4-iodophenyl)acetamide
CID 12147
methyl N'-(4-nitrophenyl)carbamimidothioate;hydroiodide
CID 22100069
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
N-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 135622191
4-acetamido-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3630343

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide (CID 3839390) is N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C(\N)c2cc(I)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide?
The InChIKey is MRJDPAUFVLAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4O3/c1-9(21)18-12-2-4-13(5-3-12)19-15(17)10-6-11(16)8-14(7-10)20(22)23/h2-8H,1H3,(H2,17,19)(H,18,21).
What are the key properties of N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide?
N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide has a molecular weight of 424.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino-(3-iodo-5-nitrophenyl)methylidene]amino]phenyl]acetamide is sourced from PubChem (CID 3839390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).