N-(4-chloro-2-iodophenyl)-4-methylpentanamide

C12H15ClINO — CID 103766832

IUPACN-(4-chloro-2-iodophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H15ClINO/c1-8(2)3-6-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyASXOEPCANSJWCM-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.32
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-4-methylpentanamide

N-(4-chloro-2-iodophenyl)-4-methylpentanamide (PubChem CID 103766832) has the molecular formula C12H15ClINO and a molecular weight of 351.62 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-methylpentanamide
PubChem CID103766832
Molecular FormulaC12H15ClINO
Molecular Weight351.62 g/mol
Exact Mass350.99
IUPAC NameN-(4-chloro-2-iodophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H15ClINO/c1-8(2)3-6-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyASXOEPCANSJWCM-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-iodophenyl)-4-methylpentanamide 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-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
5-[(4-chloro-2-iodophenyl)carbamoylamino]hexanoic acid
CID 107628473
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylpentanamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylpentanamide (CID 103766832) is N-(4-chloro-2-iodophenyl)-4-methylpentanamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-methylpentanamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-methylpentanamide?
The InChIKey is ASXOEPCANSJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO/c1-8(2)3-6-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-4-methylpentanamide?
N-(4-chloro-2-iodophenyl)-4-methylpentanamide has a molecular weight of 351.62 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4-methylpentanamide is sourced from PubChem (CID 103766832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).