4-(2-iodoanilino)-N-methylbutanamide

C11H15IN2O — CID 63891619

IUPAC4-(2-iodoanilino)-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccccc1I
InChIInChI=1S/C11H15IN2O/c1-13-11(15)7-4-8-14-10-6-3-2-5-9(10)12/h2-3,5-6,14H,4,7-8H2,1H3,(H,13,15)
InChIKeySMIXSLDPHBQEEM-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.23
Rot. Bonds5

About 4-(2-iodoanilino)-N-methylbutanamide

4-(2-iodoanilino)-N-methylbutanamide (PubChem CID 63891619) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 4-(2-iodoanilino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-iodoanilino)-N-methylbutanamide
PubChem CID63891619
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name4-(2-iodoanilino)-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccccc1I
InChIInChI=1S/C11H15IN2O/c1-13-11(15)7-4-8-14-10-6-3-2-5-9(10)12/h2-3,5-6,14H,4,7-8H2,1H3,(H,13,15)
InChIKeySMIXSLDPHBQEEM-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-iodoanilino)-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-(2-propylanilino)butanamide
CID 63891193
4-(2-iodoanilino)butan-2-one
CID 71353813
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide
CID 130335297
ethyl 3-(2-iodoanilino)propanoate
CID 43174220
2-(2-iodoanilino)ethanol
CID 28978311
3-(4-amino-2-iodoanilino)-N-methylpropanamide
CID 66092939
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-(3-ethoxypropyl)-2-iodoaniline
CID 65175161
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001
4-(2-iodoanilino)butanenitrile
CID 28876808

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoanilino)-N-methylbutanamide?
The IUPAC name of 4-(2-iodoanilino)-N-methylbutanamide (CID 63891619) is 4-(2-iodoanilino)-N-methylbutanamide.
What is the SMILES notation for 4-(2-iodoanilino)-N-methylbutanamide?
The canonical SMILES for 4-(2-iodoanilino)-N-methylbutanamide is CNC(=O)CCCNc1ccccc1I.
What is the InChIKey of 4-(2-iodoanilino)-N-methylbutanamide?
The InChIKey is SMIXSLDPHBQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-13-11(15)7-4-8-14-10-6-3-2-5-9(10)12/h2-3,5-6,14H,4,7-8H2,1H3,(H,13,15).
What are the key properties of 4-(2-iodoanilino)-N-methylbutanamide?
4-(2-iodoanilino)-N-methylbutanamide has a molecular weight of 318.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoanilino)-N-methylbutanamide is sourced from PubChem (CID 63891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).