2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide

C18H20FNO3 — CID 121131349

IUPAC2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1ccco1)C1CCOCC1
InChIInChI=1S/C18H20FNO3/c19-15-5-3-14(4-6-15)12-18(21)20(13-17-2-1-9-23-17)16-7-10-22-11-8-16/h1-6,9,16H,7-8,10-13H2
InChIKeyCBVVMYDIZXAPOG-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide (PubChem CID 121131349) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
PubChem CID121131349
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1ccco1)C1CCOCC1
InChIInChI=1S/C18H20FNO3/c19-15-5-3-14(4-6-15)12-18(21)20(13-17-2-1-9-23-17)16-7-10-22-11-8-16/h1-6,9,16H,7-8,10-13H2
InChIKeyCBVVMYDIZXAPOG-UHFFFAOYSA-N
XLogP3.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86998215
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 71801512
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 33094746
2-(4-acetamidophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 51923302
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 3254720
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide (CID 121131349) is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide is O=C(Cc1ccc(F)cc1)N(Cc1ccco1)C1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
The InChIKey is CBVVMYDIZXAPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c19-15-5-3-14(4-6-15)12-18(21)20(13-17-2-1-9-23-17)16-7-10-22-11-8-16/h1-6,9,16H,7-8,10-13H2.
What are the key properties of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide?
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 121131349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).