ethyl 3-(2-iodoanilino)propanoate

C11H14INO2 — CID 43174220

IUPACethyl 3-(2-iodoanilino)propanoate
SMILESCCOC(=O)CCNc1ccccc1I
InChIInChI=1S/C11H14INO2/c1-2-15-11(14)7-8-13-10-6-4-3-5-9(10)12/h3-6,13H,2,7-8H2,1H3
InChIKeyKMOAIRPBBSKVGU-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.66
Rot. Bonds5

About ethyl 3-(2-iodoanilino)propanoate

ethyl 3-(2-iodoanilino)propanoate (PubChem CID 43174220) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is ethyl 3-(2-iodoanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-iodoanilino)propanoate
PubChem CID43174220
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Nameethyl 3-(2-iodoanilino)propanoate
SMILESCCOC(=O)CCNc1ccccc1I
InChIInChI=1S/C11H14INO2/c1-2-15-11(14)7-8-13-10-6-4-3-5-9(10)12/h3-6,13H,2,7-8H2,1H3
InChIKeyKMOAIRPBBSKVGU-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.66
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

ethyl 3-(4-chloro-2-iodoanilino)propanoate
CID 107634917
4-(2-iodoanilino)butan-2-one
CID 71353813
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-[(2-chloro-3-pyridinyl)amino]propanoate
CID 82316667
ethyl 3-(2-carbamoyl-3-fluoroanilino)propanoate
CID 79512517
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-(2-carbamothioyl-3-fluoroanilino)propanoate
CID 79520406
ethyl 3-(4-methylanilino)propanoate
CID 23052674
methyl 3-(2-methylanilino)propanoate
CID 12805940
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
N-(3-ethoxypropyl)-2-iodoaniline
CID 65175161

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-iodoanilino)propanoate?
The IUPAC name of ethyl 3-(2-iodoanilino)propanoate (CID 43174220) is ethyl 3-(2-iodoanilino)propanoate.
What is the SMILES notation for ethyl 3-(2-iodoanilino)propanoate?
The canonical SMILES for ethyl 3-(2-iodoanilino)propanoate is CCOC(=O)CCNc1ccccc1I.
What is the InChIKey of ethyl 3-(2-iodoanilino)propanoate?
The InChIKey is KMOAIRPBBSKVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-2-15-11(14)7-8-13-10-6-4-3-5-9(10)12/h3-6,13H,2,7-8H2,1H3.
What are the key properties of ethyl 3-(2-iodoanilino)propanoate?
ethyl 3-(2-iodoanilino)propanoate has a molecular weight of 319.14 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-iodoanilino)propanoate is sourced from PubChem (CID 43174220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).