N-(4-chloro-2-iodophenyl)-3-methoxypropanamide

C10H11ClINO2 — CID 103766747

IUPACN-(4-chloro-2-iodophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClINO2/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHHKXQEUFJGGXCQ-UHFFFAOYSA-N
MW339.56 g/mol
LogP2.92
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-3-methoxypropanamide

N-(4-chloro-2-iodophenyl)-3-methoxypropanamide (PubChem CID 103766747) has the molecular formula C10H11ClINO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-methoxypropanamide
PubChem CID103766747
Molecular FormulaC10H11ClINO2
Molecular Weight339.56 g/mol
Exact Mass338.95
IUPAC NameN-(4-chloro-2-iodophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClINO2/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHHKXQEUFJGGXCQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-iodophenyl)-3-methoxypropanamide 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)-4-methylpentanamide
CID 103766832
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
CID 107624112
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
methyl 3-amino-4-(3-methoxypropanoylamino)benzoate
CID 110480525
N-(2-amino-4-hydroxyphenyl)-3-methoxypropanamide
CID 107697634
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-methoxypropanamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-methoxypropanamide (CID 103766747) is N-(4-chloro-2-iodophenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-methoxypropanamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-methoxypropanamide is COCCC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-methoxypropanamide?
The InChIKey is HHKXQEUFJGGXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO2/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(4-chloro-2-iodophenyl)-3-methoxypropanamide?
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide has a molecular weight of 339.56 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-methoxypropanamide is sourced from PubChem (CID 103766747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).