N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide

C18H14FNO4 — CID 18113602

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCOc1ccccc1F)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H14FNO4/c19-14-6-2-4-8-16(14)23-10-9-20-17(21)13-11-12-5-1-3-7-15(12)24-18(13)22/h1-8,11H,9-10H2,(H,20,21)
InChIKeyLBMCFRFPLCPGGG-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 18113602) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
PubChem CID18113602
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCOc1ccccc1F)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H14FNO4/c19-14-6-2-4-8-16(14)23-10-9-20-17(21)13-11-12-5-1-3-7-15(12)24-18(13)22/h1-8,11H,9-10H2,(H,20,21)
InChIKeyLBMCFRFPLCPGGG-UHFFFAOYSA-N
XLogP2.74
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-oxochromene-3-carboxamide
CID 39285808
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-oxochromene-3-carboxamide
CID 8743684
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
3-[(2-oxochromene-3-carbonyl)amino]propyl 2-(2,4-dibromophenoxy)acetate
CID 19179701
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide (CID 18113602) is N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCOc1ccccc1F)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is LBMCFRFPLCPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c19-14-6-2-4-8-16(14)23-10-9-20-17(21)13-11-12-5-1-3-7-15(12)24-18(13)22/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 18113602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).