[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate

C24H19N3O4 — CID 7723034

IUPAC[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19N3O4/c28-22(15-31-24(30)21-14-16-8-4-6-12-19(16)26-21)27-20-13-7-5-11-18(20)23(29)25-17-9-2-1-3-10-17/h1-14,26H,15H2,(H,25,29)(H,27,28)
InChIKeyJCJRPQDZBIYDAH-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.22
Rot. Bonds6

About [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate (PubChem CID 7723034) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
PubChem CID7723034
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19N3O4/c28-22(15-31-24(30)21-14-16-8-4-6-12-19(16)26-21)27-20-13-7-5-11-18(20)23(29)25-17-9-2-1-3-10-17/h1-14,26H,15H2,(H,25,29)(H,27,28)
InChIKeyJCJRPQDZBIYDAH-UHFFFAOYSA-N
XLogP4.22
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507048
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010395
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466226
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466227
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate (CID 7723034) is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate is O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate?
The InChIKey is JCJRPQDZBIYDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-22(15-31-24(30)21-14-16-8-4-6-12-19(16)26-21)27-20-13-7-5-11-18(20)23(29)25-17-9-2-1-3-10-17/h1-14,26H,15H2,(H,25,29)(H,27,28).
What are the key properties of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate?
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7723034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).