N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide

C10H9I4NO — CID 134337067

IUPACN-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(I)(I)C(I)I)c1
InChIInChI=1S/C10H9I4NO/c1-6(16)15-8-4-2-3-7(5-8)10(13,14)9(11)12/h2-5,9H,1H3,(H,15,16)
InChIKeyTYIBYCNJXGDEOG-UHFFFAOYSA-N
MW666.80 g/mol
LogP4.86
Rot. Bonds3

About N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide

N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide (PubChem CID 134337067) has the molecular formula C10H9I4NO and a molecular weight of 666.80 g/mol. Its IUPAC name is N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide
PubChem CID134337067
Molecular FormulaC10H9I4NO
Molecular Weight666.80 g/mol
Exact Mass666.69
IUPAC NameN-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(I)(I)C(I)I)c1
InChIInChI=1S/C10H9I4NO/c1-6(16)15-8-4-2-3-7(5-8)10(13,14)9(11)12/h2-5,9H,1H3,(H,15,16)
InChIKeyTYIBYCNJXGDEOG-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.80
LogP ≤ 54.86
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'}

Analyze N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide 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

2-methyl-N-[3-(1,1,2,2-tetraiodoethyl)phenyl]propanamide
CID 139297247
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
CID 54366918
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-methylphenyl)acetamide
CID 10843
N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 146836699
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide?
The IUPAC name of N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide (CID 134337067) is N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide is CC(=O)Nc1cccc(C(I)(I)C(I)I)c1.
What is the InChIKey of N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide?
The InChIKey is TYIBYCNJXGDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9I4NO/c1-6(16)15-8-4-2-3-7(5-8)10(13,14)9(11)12/h2-5,9H,1H3,(H,15,16).
What are the key properties of N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide?
N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide has a molecular weight of 666.80 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide is sourced from PubChem (CID 134337067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).