3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide

C11H13ClINO2 — CID 106842281

IUPAC3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
SMILESO=C(NCCCCO)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINO2/c12-9-7-8(3-4-10(9)13)11(16)14-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyFMWMGWZNXGJAIW-UHFFFAOYSA-N
MW353.59 g/mol
LogP2.45
Rot. Bonds5

About 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide

3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide (PubChem CID 106842281) has the molecular formula C11H13ClINO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
PubChem CID106842281
Molecular FormulaC11H13ClINO2
Molecular Weight353.59 g/mol
Exact Mass352.97
IUPAC Name3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
SMILESO=C(NCCCCO)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINO2/c12-9-7-8(3-4-10(9)13)11(16)14-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyFMWMGWZNXGJAIW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
3-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-iodobenzamide
CID 103800850
3-chloro-4-iodo-N-pent-4-ynylbenzamide
CID 103737066
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
ethyl 4-[(3-chloro-4-iodobenzoyl)amino]butanoate
CID 103734908
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
3-chloro-4-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103737073
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide (CID 106842281) is 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide is O=C(NCCCCO)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide?
The InChIKey is FMWMGWZNXGJAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO2/c12-9-7-8(3-4-10(9)13)11(16)14-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2,(H,14,16).
What are the key properties of 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide?
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide has a molecular weight of 353.59 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide is sourced from PubChem (CID 106842281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).