N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H15ClINO2 — CID 112604535

IUPACN-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H15ClINO2/c1-12(2,3)17-7-11(16)15-10-5-4-8(14)6-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyUOJKMZUWCCDLSM-UHFFFAOYSA-N
MW367.61 g/mol
LogP3.70
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604535) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604535
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC NameN-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H15ClINO2/c1-12(2,3)17-7-11(16)15-10-5-4-8(14)6-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyUOJKMZUWCCDLSM-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]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-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
CID 112604455
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284
2-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)acetamide
CID 43713303

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604535) is N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is UOJKMZUWCCDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO2/c1-12(2,3)17-7-11(16)15-10-5-4-8(14)6-9(10)13/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 367.61 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).