N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide

C12H13IN2O2 — CID 103873674

IUPACN-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
SMILESCCN(CCC#N)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H13IN2O2/c1-2-15(7-3-6-14)12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,2-3,7H2,1H3
InChIKeyDVEVKBXUWNXEKH-UHFFFAOYSA-N
MW344.15 g/mol
LogP2.37
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide

N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide (PubChem CID 103873674) has the molecular formula C12H13IN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
PubChem CID103873674
Molecular FormulaC12H13IN2O2
Molecular Weight344.15 g/mol
Exact Mass344.00
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
SMILESCCN(CCC#N)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H13IN2O2/c1-2-15(7-3-6-14)12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,2-3,7H2,1H3
InChIKeyDVEVKBXUWNXEKH-UHFFFAOYSA-N
XLogP2.37
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
CID 103520576
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659
N-(2-cyanoethyl)-N-ethyl-2-methyl-5-nitrobenzamide
CID 54992866
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide (CID 103873674) is N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide is CCN(CCC#N)C(=O)c1cc(I)ccc1O.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide?
The InChIKey is DVEVKBXUWNXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2/c1-2-15(7-3-6-14)12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,2-3,7H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide?
N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide has a molecular weight of 344.15 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 103873674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).