N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide

C11H11IN2O2 — CID 104628357

IUPACN-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
SMILESCC(C#N)CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H11IN2O2/c1-7(5-13)6-14-11(16)8-2-3-9(12)10(15)4-8/h2-4,7,15H,6H2,1H3,(H,14,16)
InChIKeyLFPKCDCLPQZKPA-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.89
Rot. Bonds3

About N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide

N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104628357) has the molecular formula C11H11IN2O2 and a molecular weight of 330.13 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
PubChem CID104628357
Molecular FormulaC11H11IN2O2
Molecular Weight330.13 g/mol
Exact Mass329.99
IUPAC NameN-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
SMILESCC(C#N)CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H11IN2O2/c1-7(5-13)6-14-11(16)8-2-3-9(12)10(15)4-8/h2-4,7,15H,6H2,1H3,(H,14,16)
InChIKeyLFPKCDCLPQZKPA-UHFFFAOYSA-N
XLogP1.89
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
4-chloro-N-(2-cyanopropyl)-3-methylbenzamide
CID 112699238
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
CID 106164507
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
N-(2-cyanopropyl)-3,4-diethoxybenzamide
CID 62653111
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
3-bromo-N-(2-cyanopropyl)-4-methoxybenzamide
CID 55209192
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
CID 113434734
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide (CID 104628357) is N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide is CC(C#N)CNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is LFPKCDCLPQZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2/c1-7(5-13)6-14-11(16)8-2-3-9(12)10(15)4-8/h2-4,7,15H,6H2,1H3,(H,14,16).
What are the key properties of N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide?
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 330.13 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104628357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).