N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide

C21H14FNO4 — CID 4972578

IUPACN-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1
InChIInChI=1S/C21H14FNO4/c1-26-17-8-3-2-5-14(17)21(25)23-12-9-10-13-18(11-12)27-20-15(19(13)24)6-4-7-16(20)22/h2-11H,1H3,(H,23,25)
InChIKeyYQXVLMQMIKULKQ-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.35
Rot. Bonds3

About N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide

N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide (PubChem CID 4972578) has the molecular formula C21H14FNO4 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide
PubChem CID4972578
Molecular FormulaC21H14FNO4
Molecular Weight363.34 g/mol
Exact Mass363.09
IUPAC NameN-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1
InChIInChI=1S/C21H14FNO4/c1-26-17-8-3-2-5-14(17)21(25)23-12-9-10-13-18(11-12)27-20-15(19(13)24)6-4-7-16(20)22/h2-11H,1H3,(H,23,25)
InChIKeyYQXVLMQMIKULKQ-UHFFFAOYSA-N
XLogP4.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide?
The IUPAC name of N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide (CID 4972578) is N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide?
The canonical SMILES for N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1.
What is the InChIKey of N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide?
The InChIKey is YQXVLMQMIKULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO4/c1-26-17-8-3-2-5-14(17)21(25)23-12-9-10-13-18(11-12)27-20-15(19(13)24)6-4-7-16(20)22/h2-11H,1H3,(H,23,25).
What are the key properties of N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide?
N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide has a molecular weight of 363.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-9-oxoxanthen-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 4972578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).