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

C23H18FNO4 — CID 23472081

IUPAC2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(=O)c4cccc(F)c4oc3c2)c1C
InChIInChI=1S/C23H18FNO4/c1-13-5-3-8-19(14(13)2)28-12-21(26)25-15-9-10-16-20(11-15)29-23-17(22(16)27)6-4-7-18(23)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyQCZDSRPPXHLHFC-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.72
Rot. Bonds4

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

2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide (PubChem CID 23472081) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
PubChem CID23472081
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(=O)c4cccc(F)c4oc3c2)c1C
InChIInChI=1S/C23H18FNO4/c1-13-5-3-8-19(14(13)2)28-12-21(26)25-15-9-10-16-20(11-15)29-23-17(22(16)27)6-4-7-18(23)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyQCZDSRPPXHLHFC-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-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide (CID 23472081) is 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(=O)c4cccc(F)c4oc3c2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
The InChIKey is QCZDSRPPXHLHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c1-13-5-3-8-19(14(13)2)28-12-21(26)25-15-9-10-16-20(11-15)29-23-17(22(16)27)6-4-7-18(23)24/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide?
2-(2,3-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-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide is sourced from PubChem (CID 23472081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).