4-(4-iodophenyl)-N-methylbutanamide

C11H14INO — CID 148600520

IUPAC4-(4-iodophenyl)-N-methylbutanamide
SMILESCNC(=O)CCCc1ccc(I)cc1
InChIInChI=1S/C11H14INO/c1-13-11(14)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyNCKMYPRJQWFOAJ-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.36
Rot. Bonds4

About 4-(4-iodophenyl)-N-methylbutanamide

4-(4-iodophenyl)-N-methylbutanamide (PubChem CID 148600520) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-methylbutanamide
PubChem CID148600520
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name4-(4-iodophenyl)-N-methylbutanamide
SMILESCNC(=O)CCCc1ccc(I)cc1
InChIInChI=1S/C11H14INO/c1-13-11(14)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyNCKMYPRJQWFOAJ-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-iodophenyl)-N-methylbutanamide 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-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
4-(4-iodophenyl)butanoic acid
CID 4645427
6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
CID 119500842
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
4-(4-iodophenyl)butanoate
CID 41097881
N-methyl-9-phenylnonanamide
CID 118028570
2-[(2S)-2-[4-(4-iodophenyl)butanoylamino]propanoyl]oxyacetic acid
CID 177221402
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
2-[5-(4-iodophenyl)pentanoylamino]acetic acid
CID 119350131
N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
CID 119630034
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
(2R)-6-[4-(4-iodophenyl)butanoylamino]-2-(methylamino)hexanoic acid
CID 163386296

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-methylbutanamide?
The IUPAC name of 4-(4-iodophenyl)-N-methylbutanamide (CID 148600520) is 4-(4-iodophenyl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-iodophenyl)-N-methylbutanamide?
The canonical SMILES for 4-(4-iodophenyl)-N-methylbutanamide is CNC(=O)CCCc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenyl)-N-methylbutanamide?
The InChIKey is NCKMYPRJQWFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-13-11(14)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(4-iodophenyl)-N-methylbutanamide?
4-(4-iodophenyl)-N-methylbutanamide has a molecular weight of 303.14 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-methylbutanamide is sourced from PubChem (CID 148600520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).