N-(4-iodo-2,5-dimethylphenyl)propanamide

C11H14INO — CID 839810

IUPACN-(4-iodo-2,5-dimethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C)c(I)cc1C
InChIInChI=1S/C11H14INO/c1-4-11(14)13-10-6-7(2)9(12)5-8(10)3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyIQXLXRKULSHSRM-UHFFFAOYSA-N
MW303.14 g/mol
LogP3.26
Rot. Bonds2

About N-(4-iodo-2,5-dimethylphenyl)propanamide

N-(4-iodo-2,5-dimethylphenyl)propanamide (PubChem CID 839810) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)propanamide
PubChem CID839810
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C)c(I)cc1C
InChIInChI=1S/C11H14INO/c1-4-11(14)13-10-6-7(2)9(12)5-8(10)3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyIQXLXRKULSHSRM-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2209028
2-(1-adamantyl)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2958689
N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 123476524
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
CID 1297117
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
CID 22182791
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)propanamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)propanamide (CID 839810) is N-(4-iodo-2,5-dimethylphenyl)propanamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)propanamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)propanamide is CCC(=O)Nc1cc(C)c(I)cc1C.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)propanamide?
The InChIKey is IQXLXRKULSHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-4-11(14)13-10-6-7(2)9(12)5-8(10)3/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)propanamide?
N-(4-iodo-2,5-dimethylphenyl)propanamide has a molecular weight of 303.14 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 839810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).