N-(4-fluorophenyl)-2-oxochromene-3-carboxamide

C16H10FNO3 — CID 694612

IUPACN-(4-fluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10FNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKeyNBXFKAVYIKTFOG-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.18
Rot. Bonds2

About N-(4-fluorophenyl)-2-oxochromene-3-carboxamide

N-(4-fluorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 694612) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-oxochromene-3-carboxamide
PubChem CID694612
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC NameN-(4-fluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10FNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKeyNBXFKAVYIKTFOG-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-oxochromene-3-carboxamide (CID 694612) is N-(4-fluorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is NBXFKAVYIKTFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-2-oxochromene-3-carboxamide?
N-(4-fluorophenyl)-2-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-(4-fluorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 694612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).