N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide

C13H14INO — CID 100619155

IUPACN-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide
SMILESO=C(Cc1ccc(I)cc1)NC1CC=CC1
InChIInChI=1S/C13H14INO/c14-11-7-5-10(6-8-11)9-13(16)15-12-3-1-2-4-12/h1-2,5-8,12H,3-4,9H2,(H,15,16)
InChIKeyZFPNTPPEQZVRNR-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.67
Rot. Bonds3

About N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide

N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide (PubChem CID 100619155) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide
PubChem CID100619155
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC NameN-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide
SMILESO=C(Cc1ccc(I)cc1)NC1CC=CC1
InChIInChI=1S/C13H14INO/c14-11-7-5-10(6-8-11)9-13(16)15-12-3-1-2-4-12/h1-2,5-8,12H,3-4,9H2,(H,15,16)
InChIKeyZFPNTPPEQZVRNR-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
N-cyclopropyl-2-phenylacetamide
CID 5175687
hydroxy-[[[2-(4-iodophenyl)acetyl]amino]methyl]-oxophosphanium
CID 6327749
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
CID 130669858
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114974200
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide (CID 100619155) is N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide is O=C(Cc1ccc(I)cc1)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide?
The InChIKey is ZFPNTPPEQZVRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c14-11-7-5-10(6-8-11)9-13(16)15-12-3-1-2-4-12/h1-2,5-8,12H,3-4,9H2,(H,15,16).
What are the key properties of N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide?
N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide has a molecular weight of 327.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 100619155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).