2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide

C15H12IN3O — CID 9101293

IUPAC2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
SMILESN#Cc1cccc(NCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C15H12IN3O/c16-12-4-6-13(7-5-12)19-15(20)10-18-14-3-1-2-11(8-14)9-17/h1-8,18H,10H2,(H,19,20)
InChIKeyVTBNUJUXSAPJST-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.21
Rot. Bonds4

About 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide

2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide (PubChem CID 9101293) has the molecular formula C15H12IN3O and a molecular weight of 377.19 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
PubChem CID9101293
Molecular FormulaC15H12IN3O
Molecular Weight377.19 g/mol
Exact Mass377.00
IUPAC Name2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
SMILESN#Cc1cccc(NCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C15H12IN3O/c16-12-4-6-13(7-5-12)19-15(20)10-18-14-3-1-2-11(8-14)9-17/h1-8,18H,10H2,(H,19,20)
InChIKeyVTBNUJUXSAPJST-UHFFFAOYSA-N
XLogP3.21
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(3-cyanoanilino)-N-(4-iodophenyl)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

2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide
CID 43327324
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide (CID 9101293) is 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide is N#Cc1cccc(NCC(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide?
The InChIKey is VTBNUJUXSAPJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O/c16-12-4-6-13(7-5-12)19-15(20)10-18-14-3-1-2-11(8-14)9-17/h1-8,18H,10H2,(H,19,20).
What are the key properties of 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide?
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide has a molecular weight of 377.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 9101293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).