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

C10H9IN2O2 — CID 107168316

IUPACN-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
SMILESN#CCCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C10H9IN2O2/c11-8-3-2-7(6-9(8)14)10(15)13-5-1-4-12/h2-3,6,14H,1,5H2,(H,13,15)
InChIKeyMESYHWHXCXESMM-UHFFFAOYSA-N
MW316.10 g/mol
LogP1.64
Rot. Bonds3

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

N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide (PubChem CID 107168316) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
PubChem CID107168316
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC NameN-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
SMILESN#CCCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C10H9IN2O2/c11-8-3-2-7(6-9(8)14)10(15)13-5-1-4-12/h2-3,6,14H,1,5H2,(H,13,15)
InChIKeyMESYHWHXCXESMM-UHFFFAOYSA-N
XLogP1.64
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
3-hydroxy-4-iodo-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 104627726
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
CID 113434734
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide (CID 107168316) is N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide is N#CCCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is MESYHWHXCXESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c11-8-3-2-7(6-9(8)14)10(15)13-5-1-4-12/h2-3,6,14H,1,5H2,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide?
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 316.10 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 107168316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).