N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide

C13H16INOSe — CID 101244501

IUPACN-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide
SMILESCCCC(=O)NC/C(I)=C/[Se]c1ccccc1
InChIInChI=1S/C13H16INOSe/c1-2-6-13(16)15-9-11(14)10-17-12-7-4-3-5-8-12/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16)/b11-10-
InChIKeyCNDQAEHLJCYAMJ-KHPPLWFESA-N
MW408.14 g/mol
LogP2.21
Rot. Bonds6

About N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide

N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide (PubChem CID 101244501) has the molecular formula C13H16INOSe and a molecular weight of 408.14 g/mol. Its IUPAC name is N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide
PubChem CID101244501
Molecular FormulaC13H16INOSe
Molecular Weight408.14 g/mol
Exact Mass408.94
IUPAC NameN-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide
SMILESCCCC(=O)NC/C(I)=C/[Se]c1ccccc1
InChIInChI=1S/C13H16INOSe/c1-2-6-13(16)15-9-11(14)10-17-12-7-4-3-5-8-12/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16)/b11-10-
InChIKeyCNDQAEHLJCYAMJ-KHPPLWFESA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-1-phenylselenocyclohexane
CID 12635004
Se-phenyl N-heptylcarbamoselenoate
CID 11130281
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide
CID 11257483
N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide
CID 12635005
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-(1-phenylselanylheptan-2-yl)acetamide
CID 85587493
N-[(E)-3-phenylprop-2-enyl]butanamide
CID 101027676
N-[(Z)-2-iodo-3-(4-methylphenyl)selanylprop-2-enyl]acetamide
CID 101244502
N-[(Z)-2-iodo-3-(2-methylphenyl)selanylprop-2-enyl]acetamide
CID 101244503
N-(1-phenylselanylpentyl)acetamide
CID 139264953
N-(1-phenylselanylheptyl)acetamide
CID 139264954
N-(1-phenylselanylnonyl)acetamide
CID 139264955

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide?
The IUPAC name of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide (CID 101244501) is N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide.
What is the SMILES notation for N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide?
The canonical SMILES for N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide is CCCC(=O)NC/C(I)=C/[Se]c1ccccc1.
What is the InChIKey of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide?
The InChIKey is CNDQAEHLJCYAMJ-KHPPLWFESA-N. The full InChI is InChI=1S/C13H16INOSe/c1-2-6-13(16)15-9-11(14)10-17-12-7-4-3-5-8-12/h3-5,7-8,10H,2,6,9H2,1H3,(H,15,16)/b11-10-.
What are the key properties of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide?
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide has a molecular weight of 408.14 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide is sourced from PubChem (CID 101244501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).