2-(ethylamino)-5-iodobenzoic acid

C9H10INO2 — CID 68830634

IUPAC2-(ethylamino)-5-iodobenzoic acid
SMILESCCNc1ccc(I)cc1C(=O)O
InChIInChI=1S/C9H10INO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyULFIEYBIPYBADR-UHFFFAOYSA-N
MW291.09 g/mol
LogP2.42
Rot. Bonds3

About 2-(ethylamino)-5-iodobenzoic acid

2-(ethylamino)-5-iodobenzoic acid (PubChem CID 68830634) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-(ethylamino)-5-iodobenzoic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-iodobenzoic acid
PubChem CID68830634
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name2-(ethylamino)-5-iodobenzoic acid
SMILESCCNc1ccc(I)cc1C(=O)O
InChIInChI=1S/C9H10INO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyULFIEYBIPYBADR-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(ethylamino)-2-methylpropanoyl]amino]-5-iodobenzoic acid
CID 63111693
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
2-(2,2-dimethylbutanoylamino)-5-iodobenzoic acid
CID 55178842
5-iodo-2-(propylcarbamoylamino)benzoic acid
CID 63111324
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
2-(butan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111617
2-(2,2-dimethylpropylcarbamoylamino)-5-iodobenzoic acid
CID 63111409
2-[2-(aminomethyl)butanoylamino]-5-iodobenzoic acid
CID 65228642
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-iodobenzoic acid
CID 103929880
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63111388
5-iodo-2-(2-methylsulfonylethylsulfonylamino)benzoic acid
CID 63245263
2-(2-acetamidoethylcarbamoylamino)-5-iodobenzoic acid
CID 63111465

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-iodobenzoic acid?
The IUPAC name of 2-(ethylamino)-5-iodobenzoic acid (CID 68830634) is 2-(ethylamino)-5-iodobenzoic acid.
What is the SMILES notation for 2-(ethylamino)-5-iodobenzoic acid?
The canonical SMILES for 2-(ethylamino)-5-iodobenzoic acid is CCNc1ccc(I)cc1C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-iodobenzoic acid?
The InChIKey is ULFIEYBIPYBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-2-11-8-4-3-6(10)5-7(8)9(12)13/h3-5,11H,2H2,1H3,(H,12,13).
What are the key properties of 2-(ethylamino)-5-iodobenzoic acid?
2-(ethylamino)-5-iodobenzoic acid has a molecular weight of 291.09 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-iodobenzoic acid is sourced from PubChem (CID 68830634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).