N-(3-fluorophenyl)-4-oxochromene-3-carboxamide

C16H10FNO3 — CID 133053560

IUPACN-(3-fluorophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
InChIKeyOUROIBLACYVZRJ-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.18
Rot. Bonds2

About N-(3-fluorophenyl)-4-oxochromene-3-carboxamide

N-(3-fluorophenyl)-4-oxochromene-3-carboxamide (PubChem CID 133053560) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-oxochromene-3-carboxamide
PubChem CID133053560
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC NameN-(3-fluorophenyl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
InChIKeyOUROIBLACYVZRJ-UHFFFAOYSA-N
XLogP3.18
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-oxochromene-3-carboxamide (CID 133053560) is N-(3-fluorophenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-oxochromene-3-carboxamide is O=C(Nc1cccc(F)c1)c1coc2ccccc2c1=O.
What is the InChIKey of N-(3-fluorophenyl)-4-oxochromene-3-carboxamide?
The InChIKey is OUROIBLACYVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-4-oxochromene-3-carboxamide?
N-(3-fluorophenyl)-4-oxochromene-3-carboxamide has a molecular weight of 283.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 133053560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).