8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide

C18H14FNO4 — CID 6460214

IUPAC8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12
InChIInChI=1S/C18H14FNO4/c1-2-23-15-9-5-6-11-10-12(18(22)24-16(11)15)17(21)20-14-8-4-3-7-13(14)19/h3-10H,2H2,1H3,(H,20,21)
InChIKeyXBXNYBAWFJEUAG-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.58
Rot. Bonds4

About 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide

8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 6460214) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
PubChem CID6460214
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12
InChIInChI=1S/C18H14FNO4/c1-2-23-15-9-5-6-11-10-12(18(22)24-16(11)15)17(21)20-14-8-4-3-7-13(14)19/h3-10H,2H2,1H3,(H,20,21)
InChIKeyXBXNYBAWFJEUAG-UHFFFAOYSA-N
XLogP3.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
3-acetyl-8-ethoxychromen-2-one
CID 3266617
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
CID 146000873

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide (CID 6460214) is 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is XBXNYBAWFJEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-2-23-15-9-5-6-11-10-12(18(22)24-16(11)15)17(21)20-14-8-4-3-7-13(14)19/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 6460214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).