N-(4-iodophenyl)but-3-enamide

C10H10INO — CID 60651848

IUPACN-(4-iodophenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C10H10INO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h2,4-7H,1,3H2,(H,12,13)
InChIKeyPYMBBULQGOWETA-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.81
Rot. Bonds3

About N-(4-iodophenyl)but-3-enamide

N-(4-iodophenyl)but-3-enamide (PubChem CID 60651848) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is N-(4-iodophenyl)but-3-enamide.

Molecular Properties

Compound NameN-(4-iodophenyl)but-3-enamide
PubChem CID60651848
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC NameN-(4-iodophenyl)but-3-enamide
SMILESC=CCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C10H10INO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h2,4-7H,1,3H2,(H,12,13)
InChIKeyPYMBBULQGOWETA-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.81
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-(4-formylphenyl)but-3-enamide
CID 142510252
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
5-(but-3-enoylamino)-2-hydroxybenzoic acid
CID 62685346
4-iodo-N-prop-2-enylaniline
CID 62140116
4-(but-3-enoylamino)-2-fluorobenzoic acid
CID 107792832
2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
N-(4-iodophenyl)acetamide
CID 12147
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-[3-(hydroxymethyl)phenyl]but-3-enamide
CID 62678719

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)but-3-enamide?
The IUPAC name of N-(4-iodophenyl)but-3-enamide (CID 60651848) is N-(4-iodophenyl)but-3-enamide.
What is the SMILES notation for N-(4-iodophenyl)but-3-enamide?
The canonical SMILES for N-(4-iodophenyl)but-3-enamide is C=CCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)but-3-enamide?
The InChIKey is PYMBBULQGOWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h2,4-7H,1,3H2,(H,12,13).
What are the key properties of N-(4-iodophenyl)but-3-enamide?
N-(4-iodophenyl)but-3-enamide has a molecular weight of 287.10 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)but-3-enamide is sourced from PubChem (CID 60651848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).