[2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate

C29H21NO5 — CID 3575554

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESO=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C29H21NO5/c31-26(30-23-15-7-4-12-20(23)28(32)19-10-2-1-3-11-19)18-34-29(33)27-21-13-5-8-16-24(21)35-25-17-9-6-14-22(25)27/h1-17,27H,18H2,(H,30,31)
InChIKeyJGWZRRNAINZESK-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.34
Rot. Bonds6

About [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate

[2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate (PubChem CID 3575554) has the molecular formula C29H21NO5 and a molecular weight of 463.49 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate
PubChem CID3575554
Molecular FormulaC29H21NO5
Molecular Weight463.49 g/mol
Exact Mass463.14
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESO=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C29H21NO5/c31-26(30-23-15-7-4-12-20(23)28(32)19-10-2-1-3-11-19)18-34-29(33)27-21-13-5-8-16-24(21)35-25-17-9-6-14-22(25)27/h1-17,27H,18H2,(H,30,31)
InChIKeyJGWZRRNAINZESK-UHFFFAOYSA-N
XLogP5.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 3929613
[2-(2-benzoylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932093
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-(2-benzoylanilino)-2-oxoethyl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50937560
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 5081373
[2-oxo-2-(prop-2-ynylamino)ethyl] 9H-xanthene-9-carboxylate
CID 9201550
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-oxo-2-(pentan-3-ylamino)ethyl] 9H-xanthene-9-carboxylate
CID 5023194
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 7716805
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate (CID 3575554) is [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate is O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate?
The InChIKey is JGWZRRNAINZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO5/c31-26(30-23-15-7-4-12-20(23)28(32)19-10-2-1-3-11-19)18-34-29(33)27-21-13-5-8-16-24(21)35-25-17-9-6-14-22(25)27/h1-17,27H,18H2,(H,30,31).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate?
[2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate has a molecular weight of 463.49 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 3575554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).