[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C20H14N2O4 — CID 7812305

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESN#Cc1ccccc1NC(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H14N2O4/c21-11-15-7-3-4-8-17(15)22-19(24)12-26-20(25)16-9-13-5-1-2-6-14(13)10-18(16)23/h1-10,23H,12H2,(H,22,24)
InChIKeyJFMKWMPVKCCVEA-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.21
Rot. Bonds4

About [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 7812305) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID7812305
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESN#Cc1ccccc1NC(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H14N2O4/c21-11-15-7-3-4-8-17(15)22-19(24)12-26-20(25)16-9-13-5-1-2-6-14(13)10-18(16)23/h1-10,23H,12H2,(H,22,24)
InChIKeyJFMKWMPVKCCVEA-UHFFFAOYSA-N
XLogP3.21
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2391818
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4803886
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619878
[2-(2-cyanoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382609
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812297
[2-(2-cyanoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2351055
[2-(2-cyanoanilino)-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8986989
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 3969674
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2454944
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 7812305) is [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is N#Cc1ccccc1NC(=O)COC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is JFMKWMPVKCCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c21-11-15-7-3-4-8-17(15)22-19(24)12-26-20(25)16-9-13-5-1-2-6-14(13)10-18(16)23/h1-10,23H,12H2,(H,22,24).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7812305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).