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

C19H14INO3 — CID 4257120

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
SMILESO=C(COC(=O)c1ccccc1I)Nc1cccc2ccccc12
InChIInChI=1S/C19H14INO3/c20-16-10-4-3-9-15(16)19(23)24-12-18(22)21-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,22)
InChIKeyRDFZGZRITFOGFJ-UHFFFAOYSA-N
MW431.23 g/mol
LogP4.24
Rot. Bonds4

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

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate (PubChem CID 4257120) has the molecular formula C19H14INO3 and a molecular weight of 431.23 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
PubChem CID4257120
Molecular FormulaC19H14INO3
Molecular Weight431.23 g/mol
Exact Mass431.00
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
SMILESO=C(COC(=O)c1ccccc1I)Nc1cccc2ccccc12
InChIInChI=1S/C19H14INO3/c20-16-10-4-3-9-15(16)19(23)24-12-18(22)21-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,22)
InChIKeyRDFZGZRITFOGFJ-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 54.24
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

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
CID 23940957
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-iodobenzoate
CID 2397956
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2509700
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 733915
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2400883

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate (CID 4257120) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate is O=C(COC(=O)c1ccccc1I)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate?
The InChIKey is RDFZGZRITFOGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO3/c20-16-10-4-3-9-15(16)19(23)24-12-18(22)21-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,22).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate has a molecular weight of 431.23 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate is sourced from PubChem (CID 4257120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).