3-carboxy-4-[(3-iodobenzoyl)amino]phenolate

C14H9INO4- — CID 54693581

IUPAC3-carboxy-4-[(3-iodobenzoyl)amino]phenolate
SMILESO=C(Nc1ccc([O-])cc1C(=O)O)c1cccc(I)c1
InChIInChI=1S/C14H10INO4/c15-9-3-1-2-8(6-9)13(18)16-12-5-4-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)/p-1
InChIKeyFMUKMKSGGOKAGC-UHFFFAOYSA-M
MW382.13 g/mol
LogP2.32
Rot. Bonds3

About 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate

3-carboxy-4-[(3-iodobenzoyl)amino]phenolate (PubChem CID 54693581) has the molecular formula C14H9INO4- and a molecular weight of 382.13 g/mol. Its IUPAC name is 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate.

Molecular Properties

Compound Name3-carboxy-4-[(3-iodobenzoyl)amino]phenolate
PubChem CID54693581
Molecular FormulaC14H9INO4-
Molecular Weight382.13 g/mol
Exact Mass381.96
IUPAC Name3-carboxy-4-[(3-iodobenzoyl)amino]phenolate
SMILESO=C(Nc1ccc([O-])cc1C(=O)O)c1cccc(I)c1
InChIInChI=1S/C14H10INO4/c15-9-3-1-2-8(6-9)13(18)16-12-5-4-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)/p-1
InChIKeyFMUKMKSGGOKAGC-UHFFFAOYSA-M
XLogP2.32
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate?
The IUPAC name of 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate (CID 54693581) is 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate.
What is the SMILES notation for 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate?
The canonical SMILES for 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate is O=C(Nc1ccc([O-])cc1C(=O)O)c1cccc(I)c1.
What is the InChIKey of 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate?
The InChIKey is FMUKMKSGGOKAGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10INO4/c15-9-3-1-2-8(6-9)13(18)16-12-5-4-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)/p-1.
What are the key properties of 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate?
3-carboxy-4-[(3-iodobenzoyl)amino]phenolate has a molecular weight of 382.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-4-[(3-iodobenzoyl)amino]phenolate is sourced from PubChem (CID 54693581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).