[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate

C19H14ClNO3 — CID 2629383

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClNO3/c20-15-10-8-14(9-11-15)19(23)24-12-18(22)21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,21,22)
InChIKeyVLTUPDXUTQURQQ-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.29
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate (PubChem CID 2629383) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
PubChem CID2629383
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClNO3/c20-15-10-8-14(9-11-15)19(23)24-12-18(22)21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,21,22)
InChIKeyVLTUPDXUTQURQQ-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-formylbenzoate
CID 2427225
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2400883
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209317
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769208
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17257741

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate (CID 2629383) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate is O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate?
The InChIKey is VLTUPDXUTQURQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-15-10-8-14(9-11-15)19(23)24-12-18(22)21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,21,22).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate has a molecular weight of 339.78 g/mol, XLogP of 4.29, 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] 4-chlorobenzoate is sourced from PubChem (CID 2629383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).