N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide

C21H16FNO2 — CID 602473

IUPACN-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide
SMILESO=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C21H16FNO2/c22-17-9-3-4-10-18(17)23-21(24)13-16-14-7-1-5-11-19(14)25-20-12-6-2-8-15(16)20/h1-12,16H,13H2,(H,23,24)
InChIKeyDAIYDUOWGGOMIC-UHFFFAOYSA-N
MW333.36 g/mol
LogP5.09
Rot. Bonds3

About N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide

N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide (PubChem CID 602473) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide
PubChem CID602473
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC NameN-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide
SMILESO=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C21H16FNO2/c22-17-9-3-4-10-18(17)23-21(24)13-16-14-7-1-5-11-19(14)25-20-12-6-2-8-15(16)20/h1-12,16H,13H2,(H,23,24)
InChIKeyDAIYDUOWGGOMIC-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide (CID 602473) is N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide is O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide?
The InChIKey is DAIYDUOWGGOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-17-9-3-4-10-18(17)23-21(24)13-16-14-7-1-5-11-19(14)25-20-12-6-2-8-15(16)20/h1-12,16H,13H2,(H,23,24).
What are the key properties of N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide?
N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(9H-xanthen-9-yl)acetamide is sourced from PubChem (CID 602473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).