N-benzyl-9H-xanthene-9-carboxamide

HCID 718110

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Basic information

Standard SMILES: O=C(NCc1ccccc1)C1c2ccccc2Oc2ccccc21
InChIKey: IIHXKBJYWQXVJQ-UHFFFAOYSA-N
Molecular formula: C21H17NO2
Average molar mass: 315.4 g/mol
Monoisotopic mass: 315.12592879

Names & identifiers

Preferred name: N-benzyl-9H-xanthene-9-carboxamide
IUPAC: N-benzyl-9H-xanthene-9-carboxamide

Names & synonyms

N-benzyl-9H-xanthene-9-carboxamide9H-Xanthene-9-carboxylic acid benzylamideOprea1_007142Oprea1_316365349401-26-9MLS000764589SCHEMBL4669452CHEMBL1612201IIHXKBJYWQXVJQ-UHFFFAOYSA-NHMS2686H04STL221462AKOS001649787

Show more names

SMR000290194DB-125690EU-0009915SR-01000478661SR-01000478661-1

Database identifiers

PubChem CID: 718110
ChEMBL: CHEMBL1612201

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 410

Related reactions

93 records

New reaction record

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HRID 753482As productAIChemEco amide coupling conditions 47k dataset

HRID 753579As productAIChemEco amide coupling conditions 47k dataset

HRID 754125As productAIChemEco amide coupling conditions 47k dataset

HRID 754445As productAIChemEco amide coupling conditions 47k dataset

HRID 754603As productAIChemEco amide coupling conditions 47k dataset

Compound notes

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