[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate

C18H14FNO4 — CID 8742118

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)Nc1ccccc1F
InChIInChI=1S/C18H14FNO4/c19-14-6-2-3-7-15(14)20-17(21)11-24-18(22)13-9-12-5-1-4-8-16(12)23-10-13/h1-9H,10-11H2,(H,20,21)
InChIKeyMNZDYZJVEISSFJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.78
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8742118) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8742118
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)Nc1ccccc1F
InChIInChI=1S/C18H14FNO4/c19-14-6-2-3-7-15(14)20-17(21)11-24-18(22)13-9-12-5-1-4-8-16(12)23-10-13/h1-9H,10-11H2,(H,20,21)
InChIKeyMNZDYZJVEISSFJ-UHFFFAOYSA-N
XLogP2.78
TPSA64.63 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742242
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-(2,5-difluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743568
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741795

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8742118) is [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is MNZDYZJVEISSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c19-14-6-2-3-7-15(14)20-17(21)11-24-18(22)13-9-12-5-1-4-8-16(12)23-10-13/h1-9H,10-11H2,(H,20,21).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 327.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8742118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).