2-chloro-3-(2-iodophenyl)propanamide

C9H9ClINO — CID 104513226

IUPAC2-chloro-3-(2-iodophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccccc1I
InChIInChI=1S/C9H9ClINO/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7H,5H2,(H2,12,13)
InChIKeySXDYQGBYHZLUED-UHFFFAOYSA-N
MW309.53 g/mol
LogP1.93
Rot. Bonds3

About 2-chloro-3-(2-iodophenyl)propanamide

2-chloro-3-(2-iodophenyl)propanamide (PubChem CID 104513226) has the molecular formula C9H9ClINO and a molecular weight of 309.53 g/mol. Its IUPAC name is 2-chloro-3-(2-iodophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(2-iodophenyl)propanamide
PubChem CID104513226
Molecular FormulaC9H9ClINO
Molecular Weight309.53 g/mol
Exact Mass308.94
IUPAC Name2-chloro-3-(2-iodophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccccc1I
InChIInChI=1S/C9H9ClINO/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7H,5H2,(H2,12,13)
InChIKeySXDYQGBYHZLUED-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 51.93
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-3-(4-fluoro-2-iodophenyl)propanamide
CID 104513260
2-[(2-iodophenyl)methyl]propanedioic acid
CID 101269560
2-chloro-3-(3-chloro-2-methylphenyl)propanamide
CID 82054509
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
3-(1-benzothiophen-7-yl)-2-chloropropanamide
CID 130770729
methyl 3-(2-iodophenyl)-2-phenylpropanoate
CID 10737594
3-(2-iodophenyl)-2-methoxypropanoic acid
CID 70425557
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
2-[(2-iodophenyl)methylsulfanyl]acetamide
CID 23089127
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
2-acetamido-3-(2-iodophenyl)propanoic acid
CID 90399104
3-(2-iodophenyl)pentanediamide
CID 20546578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-iodophenyl)propanamide?
The IUPAC name of 2-chloro-3-(2-iodophenyl)propanamide (CID 104513226) is 2-chloro-3-(2-iodophenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(2-iodophenyl)propanamide?
The canonical SMILES for 2-chloro-3-(2-iodophenyl)propanamide is NC(=O)C(Cl)Cc1ccccc1I.
What is the InChIKey of 2-chloro-3-(2-iodophenyl)propanamide?
The InChIKey is SXDYQGBYHZLUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClINO/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7H,5H2,(H2,12,13).
What are the key properties of 2-chloro-3-(2-iodophenyl)propanamide?
2-chloro-3-(2-iodophenyl)propanamide has a molecular weight of 309.53 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-iodophenyl)propanamide is sourced from PubChem (CID 104513226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).