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

C9H8Cl2INO — CID 103881715

IUPAC2-chloro-N-(4-chloro-2-iodophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C9H8Cl2INO/c1-5(10)9(14)13-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKeyLLGMXAFNWGDJAB-UHFFFAOYSA-N
MW343.98 g/mol
LogP3.51
Rot. Bonds2

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

2-chloro-N-(4-chloro-2-iodophenyl)propanamide (PubChem CID 103881715) has the molecular formula C9H8Cl2INO and a molecular weight of 343.98 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-iodophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-iodophenyl)propanamide
PubChem CID103881715
Molecular FormulaC9H8Cl2INO
Molecular Weight343.98 g/mol
Exact Mass342.90
IUPAC Name2-chloro-N-(4-chloro-2-iodophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C9H8Cl2INO/c1-5(10)9(14)13-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKeyLLGMXAFNWGDJAB-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.98
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
methyl 4-chloro-2-(2-chloropropanoylamino)benzoate
CID 43346414
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
3-[(4-chloro-2-iodophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107628313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-iodophenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-iodophenyl)propanamide (CID 103881715) is 2-chloro-N-(4-chloro-2-iodophenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-iodophenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-iodophenyl)propanamide is CC(Cl)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-chloro-N-(4-chloro-2-iodophenyl)propanamide?
The InChIKey is LLGMXAFNWGDJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2INO/c1-5(10)9(14)13-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(4-chloro-2-iodophenyl)propanamide?
2-chloro-N-(4-chloro-2-iodophenyl)propanamide has a molecular weight of 343.98 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-iodophenyl)propanamide is sourced from PubChem (CID 103881715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).