N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

C18H18FNO4 — CID 42227187

IUPACN-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C18H18FNO4/c19-13-7-5-12(6-8-13)10-23-17-11-24-16(9-15(17)21)18(22)20-14-3-1-2-4-14/h5-9,11,14H,1-4,10H2,(H,20,22)
InChIKeyONINRBKBYRDSHU-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.03
Rot. Bonds5

About N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (PubChem CID 42227187) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
PubChem CID42227187
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C18H18FNO4/c19-13-7-5-12(6-8-13)10-23-17-11-24-16(9-15(17)21)18(22)20-14-3-1-2-4-14/h5-9,11,14H,1-4,10H2,(H,20,22)
InChIKeyONINRBKBYRDSHU-UHFFFAOYSA-N
XLogP3.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (CID 42227187) is N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is O=C(NC1CCCC1)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The InChIKey is ONINRBKBYRDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c19-13-7-5-12(6-8-13)10-23-17-11-24-16(9-15(17)21)18(22)20-14-3-1-2-4-14/h5-9,11,14H,1-4,10H2,(H,20,22).
What are the key properties of N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).