N-(4-chlorophenyl)-2-iodopropanamide

C9H9ClINO — CID 102547197

IUPACN-(4-chlorophenyl)-2-iodopropanamide
SMILESCC(I)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClINO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)
InChIKeyIDWKTUYNANYXCM-UHFFFAOYSA-N
MW309.53 g/mol
LogP3.10
Rot. Bonds2

About N-(4-chlorophenyl)-2-iodopropanamide

N-(4-chlorophenyl)-2-iodopropanamide (PubChem CID 102547197) has the molecular formula C9H9ClINO and a molecular weight of 309.53 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-iodopropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-iodopropanamide
PubChem CID102547197
Molecular FormulaC9H9ClINO
Molecular Weight309.53 g/mol
Exact Mass308.94
IUPAC NameN-(4-chlorophenyl)-2-iodopropanamide
SMILESCC(I)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClINO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)
InChIKeyIDWKTUYNANYXCM-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.10
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

(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-iodopropanamide?
The IUPAC name of N-(4-chlorophenyl)-2-iodopropanamide (CID 102547197) is N-(4-chlorophenyl)-2-iodopropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-iodopropanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-iodopropanamide is CC(I)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-iodopropanamide?
The InChIKey is IDWKTUYNANYXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClINO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13).
What are the key properties of N-(4-chlorophenyl)-2-iodopropanamide?
N-(4-chlorophenyl)-2-iodopropanamide has a molecular weight of 309.53 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-iodopropanamide is sourced from PubChem (CID 102547197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).