N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide

C18H14FNO3 — CID 2349172

IUPACN-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H14FNO3/c19-13-7-5-12(6-8-13)9-10-20-18(22)17-11-15(21)14-3-1-2-4-16(14)23-17/h1-8,11H,9-10H2,(H,20,22)
InChIKeyMGTLWMRCTSTKET-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 2349172) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID2349172
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H14FNO3/c19-13-7-5-12(6-8-13)9-10-20-18(22)17-11-15(21)14-3-1-2-4-16(14)23-17/h1-8,11H,9-10H2,(H,20,22)
InChIKeyMGTLWMRCTSTKET-UHFFFAOYSA-N
XLogP2.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide (CID 2349172) is N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is MGTLWMRCTSTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-13-7-5-12(6-8-13)9-10-20-18(22)17-11-15(21)14-3-1-2-4-16(14)23-17/h1-8,11H,9-10H2,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2349172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).