N-(2-ethylphenyl)-9H-xanthene-9-carboxamide

C22H19NO2 — CID 742984

IUPACN-(2-ethylphenyl)-9H-xanthene-9-carboxamide
SMILESCCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H19NO2/c1-2-15-9-3-6-12-18(15)23-22(24)21-16-10-4-7-13-19(16)25-20-14-8-5-11-17(20)21/h3-14,21H,2H2,1H3,(H,23,24)
InChIKeyYJKLLTRYWDMBPS-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.13
Rot. Bonds3

About N-(2-ethylphenyl)-9H-xanthene-9-carboxamide

N-(2-ethylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 742984) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-9H-xanthene-9-carboxamide
PubChem CID742984
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC NameN-(2-ethylphenyl)-9H-xanthene-9-carboxamide
SMILESCCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H19NO2/c1-2-15-9-3-6-12-18(15)23-22(24)21-16-10-4-7-13-19(16)25-20-14-8-5-11-17(20)21/h3-14,21H,2H2,1H3,(H,23,24)
InChIKeyYJKLLTRYWDMBPS-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-9H-xanthene-9-carboxamide (CID 742984) is N-(2-ethylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-9H-xanthene-9-carboxamide is CCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is YJKLLTRYWDMBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-15-9-3-6-12-18(15)23-22(24)21-16-10-4-7-13-19(16)25-20-14-8-5-11-17(20)21/h3-14,21H,2H2,1H3,(H,23,24).
What are the key properties of N-(2-ethylphenyl)-9H-xanthene-9-carboxamide?
N-(2-ethylphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 742984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).