3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide

C11H13ClINO2 — CID 106846289

IUPAC3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
SMILESO=C(NCCCCI)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClINO2/c12-9-7-8(3-4-10(9)15)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyRPIFVVYEPUJBKZ-UHFFFAOYSA-N
MW353.59 g/mol
LogP2.99
Rot. Bonds5

About 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide

3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide (PubChem CID 106846289) has the molecular formula C11H13ClINO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
PubChem CID106846289
Molecular FormulaC11H13ClINO2
Molecular Weight353.59 g/mol
Exact Mass352.97
IUPAC Name3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
SMILESO=C(NCCCCI)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13ClINO2/c12-9-7-8(3-4-10(9)15)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyRPIFVVYEPUJBKZ-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
3-bromo-4-chloro-N-(5-iodopentyl)benzamide
CID 107994465
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
CID 62666300
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide (CID 106846289) is 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide is O=C(NCCCCI)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide?
The InChIKey is RPIFVVYEPUJBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO2/c12-9-7-8(3-4-10(9)15)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6H2,(H,14,16).
What are the key properties of 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide?
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide has a molecular weight of 353.59 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide is sourced from PubChem (CID 106846289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).