[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate

C19H14INO4 — CID 23940957

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
SMILESO=C(COC(=O)c1cc(I)ccc1O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14INO4/c20-13-8-9-17(22)15(10-13)19(24)25-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,22H,11H2,(H,21,23)
InChIKeyZZOSXEUWRZAVLD-UHFFFAOYSA-N
MW447.23 g/mol
LogP3.95
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate (PubChem CID 23940957) has the molecular formula C19H14INO4 and a molecular weight of 447.23 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
PubChem CID23940957
Molecular FormulaC19H14INO4
Molecular Weight447.23 g/mol
Exact Mass447.00
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
SMILESO=C(COC(=O)c1cc(I)ccc1O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14INO4/c20-13-8-9-17(22)15(10-13)19(24)25-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,22H,11H2,(H,21,23)
InChIKeyZZOSXEUWRZAVLD-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
CID 23991848
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4803886
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate (CID 23940957) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate is O=C(COC(=O)c1cc(I)ccc1O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate?
The InChIKey is ZZOSXEUWRZAVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO4/c20-13-8-9-17(22)15(10-13)19(24)25-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,22H,11H2,(H,21,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate has a molecular weight of 447.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate is sourced from PubChem (CID 23940957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).