N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide

C15H14ClIN2O — CID 2604442

IUPACN-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClIN2O/c1-10-8-11(17)6-7-13(10)18-9-15(20)19-14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyZIZCEKZEKHMFOS-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.30
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide

N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide (PubChem CID 2604442) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
PubChem CID2604442
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC NameN-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClIN2O/c1-10-8-11(17)6-7-13(10)18-9-15(20)19-14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyZIZCEKZEKHMFOS-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
2-(4-chloro-2-iodoanilino)-N-(2-chlorophenyl)acetamide
CID 107635253
2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 22305203
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide
CID 22305154
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)acetamide
CID 26417607
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide (CID 2604442) is N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide is Cc1cc(I)ccc1NCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide?
The InChIKey is ZIZCEKZEKHMFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c1-10-8-11(17)6-7-13(10)18-9-15(20)19-14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide?
N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide has a molecular weight of 400.65 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide is sourced from PubChem (CID 2604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).