3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide

C20H11F2NO3 — CID 4896982

IUPAC3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide
SMILESO=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccc(F)c1
InChIInChI=1S/C20H11F2NO3/c21-12-4-1-3-11(9-12)20(25)23-13-7-8-14-17(10-13)26-19-15(18(14)24)5-2-6-16(19)22/h1-10H,(H,23,25)
InChIKeyCMMBRTBUBKDWEN-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.48
Rot. Bonds2

About 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide

3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide (PubChem CID 4896982) has the molecular formula C20H11F2NO3 and a molecular weight of 351.31 g/mol. Its IUPAC name is 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide
PubChem CID4896982
Molecular FormulaC20H11F2NO3
Molecular Weight351.31 g/mol
Exact Mass351.07
IUPAC Name3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide
SMILESO=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccc(F)c1
InChIInChI=1S/C20H11F2NO3/c21-12-4-1-3-11(9-12)20(25)23-13-7-8-14-17(10-13)26-19-15(18(14)24)5-2-6-16(19)22/h1-10H,(H,23,25)
InChIKeyCMMBRTBUBKDWEN-UHFFFAOYSA-N
XLogP4.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
3-amino-5-fluoroxanthen-9-one
CID 71946928
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
N-(6,7-dimethyl-9-oxoxanthen-3-yl)-3-nitrobenzamide
CID 23471985
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide (CID 4896982) is 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide is O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide?
The InChIKey is CMMBRTBUBKDWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2NO3/c21-12-4-1-3-11(9-12)20(25)23-13-7-8-14-17(10-13)26-19-15(18(14)24)5-2-6-16(19)22/h1-10H,(H,23,25).
What are the key properties of 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide?
3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide has a molecular weight of 351.31 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-fluoro-9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 4896982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).