5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide

C18H21FN2O3 — CID 119533354

IUPAC5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide
SMILESO=C(NCCC1CCNC1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H21FN2O3/c19-14-1-3-15(4-2-14)23-12-16-5-6-17(24-16)18(22)21-10-8-13-7-9-20-11-13/h1-6,13,20H,7-12H2,(H,21,22)
InChIKeyWDLCRRXFYIESRH-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.73
Rot. Bonds7

About 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide (PubChem CID 119533354) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide
PubChem CID119533354
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide
SMILESO=C(NCCC1CCNC1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H21FN2O3/c19-14-1-3-15(4-2-14)23-12-16-5-6-17(24-16)18(22)21-10-8-13-7-9-20-11-13/h1-6,13,20H,7-12H2,(H,21,22)
InChIKeyWDLCRRXFYIESRH-UHFFFAOYSA-N
XLogP2.73
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 86886568
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide
CID 46423641
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119556582
5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19292297
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260585

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide (CID 119533354) is 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide is O=C(NCCC1CCNC1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide?
The InChIKey is WDLCRRXFYIESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-14-1-3-15(4-2-14)23-12-16-5-6-17(24-16)18(22)21-10-8-13-7-9-20-11-13/h1-6,13,20H,7-12H2,(H,21,22).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 119533354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).