2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide

C17H17IN2O — CID 99944759

IUPAC2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2cccc(I)c2)c(C)c1
InChIInChI=1S/C17H17IN2O/c1-12-6-7-15(13(2)8-12)10-17(21)20-19-11-14-4-3-5-16(18)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)/b19-11+
InChIKeyZKGFHXCCGRXGAV-YBFXNURJSA-N
MW392.24 g/mol
LogP3.60
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide

2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide (PubChem CID 99944759) has the molecular formula C17H17IN2O and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide
PubChem CID99944759
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC Name2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2cccc(I)c2)c(C)c1
InChIInChI=1S/C17H17IN2O/c1-12-6-7-15(13(2)8-12)10-17(21)20-19-11-14-4-3-5-16(18)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)/b19-11+
InChIKeyZKGFHXCCGRXGAV-YBFXNURJSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]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-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143775
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143782
2-(2,4-dimethylphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657846
ethyl 2-[2-[(3-iodophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 5039258
2-(2,4-dimethylphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 92657653
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide (CID 99944759) is 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide is Cc1ccc(CC(=O)N/N=C/c2cccc(I)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide?
The InChIKey is ZKGFHXCCGRXGAV-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17IN2O/c1-12-6-7-15(13(2)8-12)10-17(21)20-19-11-14-4-3-5-16(18)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide has a molecular weight of 392.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 99944759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).