N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide

C11H13IN2O3 — CID 113434653

IUPACN-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H13IN2O3/c1-2-13-10(16)6-14-11(17)7-3-4-8(12)9(15)5-7/h3-5,15H,2,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyUABVDTCYGXUVSL-UHFFFAOYSA-N
MW348.14 g/mol
LogP0.86
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide

N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide (PubChem CID 113434653) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
PubChem CID113434653
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H13IN2O3/c1-2-13-10(16)6-14-11(17)7-3-4-8(12)9(15)5-7/h3-5,15H,2,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyUABVDTCYGXUVSL-UHFFFAOYSA-N
XLogP0.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717
2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
CID 114103306
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide (CID 113434653) is N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide is CCNC(=O)CNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is UABVDTCYGXUVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-2-13-10(16)6-14-11(17)7-3-4-8(12)9(15)5-7/h3-5,15H,2,6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide?
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 348.14 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 113434653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).