4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide

C12H17IN2O3 — CID 112750978

IUPAC4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
SMILESCOCC(O)CCNC(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C12H17IN2O3/c1-18-7-9(16)4-5-15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyQHAMNDIRMXBMAT-UHFFFAOYSA-N
MW364.18 g/mol
LogP1.00
Rot. Bonds6

About 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide

4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide (PubChem CID 112750978) has the molecular formula C12H17IN2O3 and a molecular weight of 364.18 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
PubChem CID112750978
Molecular FormulaC12H17IN2O3
Molecular Weight364.18 g/mol
Exact Mass364.03
IUPAC Name4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
SMILESCOCC(O)CCNC(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C12H17IN2O3/c1-18-7-9(16)4-5-15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyQHAMNDIRMXBMAT-UHFFFAOYSA-N
XLogP1.00
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide?
The IUPAC name of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide (CID 112750978) is 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide is COCC(O)CCNC(=O)c1ccc(N)c(I)c1.
What is the InChIKey of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide?
The InChIKey is QHAMNDIRMXBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O3/c1-18-7-9(16)4-5-15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide?
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide has a molecular weight of 364.18 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide is sourced from PubChem (CID 112750978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).