3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide

C12H14INO2 — CID 104628600

IUPAC3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c1-3-4-8(2)14-12(16)9-5-6-10(13)11(15)7-9/h3,5-8,15H,1,4H2,2H3,(H,14,16)
InChIKeyLGBIWQPSNLPTIF-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.69
Rot. Bonds4

About 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide

3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide (PubChem CID 104628600) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
PubChem CID104628600
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c1-3-4-8(2)14-12(16)9-5-6-10(13)11(15)7-9/h3,5-8,15H,1,4H2,2H3,(H,14,16)
InChIKeyLGBIWQPSNLPTIF-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
3-hydroxy-4-nitro-N-pent-4-en-2-ylbenzamide
CID 113237672
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxy-4-iodobenzamide
CID 114103948
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide (CID 104628600) is 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide?
The InChIKey is LGBIWQPSNLPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-3-4-8(2)14-12(16)9-5-6-10(13)11(15)7-9/h3,5-8,15H,1,4H2,2H3,(H,14,16).
What are the key properties of 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide?
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide has a molecular weight of 331.15 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 104628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).