[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate

C18H15N3O4 — CID 7713498

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2[nH]1)NNC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O4/c22-16(20-21-17(23)12-6-2-1-3-7-12)11-25-18(24)15-10-13-8-4-5-9-14(13)19-15/h1-10,19H,11H2,(H,20,22)(H,21,23)
InChIKeyMEMDSPCTKYNPSB-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.79
Rot. Bonds4

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7713498) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7713498
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2[nH]1)NNC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O4/c22-16(20-21-17(23)12-6-2-1-3-7-12)11-25-18(24)15-10-13-8-4-5-9-14(13)19-15/h1-10,19H,11H2,(H,20,22)(H,21,23)
InChIKeyMEMDSPCTKYNPSB-UHFFFAOYSA-N
XLogP1.79
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
CID 7723034
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7722844
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558637
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate (CID 7713498) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate is O=C(COC(=O)c1cc2ccccc2[nH]1)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is MEMDSPCTKYNPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16(20-21-17(23)12-6-2-1-3-7-12)11-25-18(24)15-10-13-8-4-5-9-14(13)19-15/h1-10,19H,11H2,(H,20,22)(H,21,23).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 337.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7713498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).