3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide

C10H9ClI3NO — CID 63463204

IUPAC3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide
SMILESCC(CCl)C(=O)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C10H9ClI3NO/c1-5(4-11)10(16)15-9-7(13)2-6(12)3-8(9)14/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyYMWLUVMWHZGSPQ-UHFFFAOYSA-N
MW575.35 g/mol
LogP4.31
Rot. Bonds3

About 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide

3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide (PubChem CID 63463204) has the molecular formula C10H9ClI3NO and a molecular weight of 575.35 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide
PubChem CID63463204
Molecular FormulaC10H9ClI3NO
Molecular Weight575.35 g/mol
Exact Mass574.75
IUPAC Name3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide
SMILESCC(CCl)C(=O)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C10H9ClI3NO/c1-5(4-11)10(16)15-9-7(13)2-6(12)3-8(9)14/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyYMWLUVMWHZGSPQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.35
LogP ≤ 54.31
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

3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113336694
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
CID 62728825
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
4-[(3-chloro-2-methylpropanoyl)amino]-3-methylbenzoic acid
CID 62726428
3-methyl-2-[[2-oxo-2-(2,4,6-triiodoanilino)ethyl]amino]butanoic acid
CID 63402183
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide
CID 71415983
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide (CID 63463204) is 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide is CC(CCl)C(=O)Nc1c(I)cc(I)cc1I.
What is the InChIKey of 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide?
The InChIKey is YMWLUVMWHZGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClI3NO/c1-5(4-11)10(16)15-9-7(13)2-6(12)3-8(9)14/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide?
3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide has a molecular weight of 575.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide is sourced from PubChem (CID 63463204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).