2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide

C23H18FNO4 — CID 23472079

IUPAC2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1
InChIInChI=1S/C23H18FNO4/c1-13-5-3-6-14(2)22(13)28-12-20(26)25-15-9-10-16-19(11-15)29-23-17(21(16)27)7-4-8-18(23)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyYIENEHBJECLCII-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.72
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide (PubChem CID 23472079) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
PubChem CID23472079
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1
InChIInChI=1S/C23H18FNO4/c1-13-5-3-6-14(2)22(13)28-12-20(26)25-15-9-10-16-19(11-15)29-23-17(21(16)27)7-4-8-18(23)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyYIENEHBJECLCII-UHFFFAOYSA-N
XLogP4.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472081
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-(4-bromophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)acetamide
CID 4972779
3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide
CID 4896982
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide (CID 23472079) is 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
The InChIKey is YIENEHBJECLCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c1-13-5-3-6-14(2)22(13)28-12-20(26)25-15-9-10-16-19(11-15)29-23-17(21(16)27)7-4-8-18(23)24/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide has a molecular weight of 391.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide is sourced from PubChem (CID 23472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).