3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide

C18H21FN2O3 — CID 113120923

IUPAC3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)CCc1ccccc1F
InChIInChI=1S/C18H21FN2O3/c1-14(22)21(10-8-15-5-2-3-7-17(15)19)11-9-18(23)20-13-16-6-4-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyLUYZQBIVXYKOGC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.52
Rot. Bonds8

About 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 113120923) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID113120923
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)CCc1ccccc1F
InChIInChI=1S/C18H21FN2O3/c1-14(22)21(10-8-15-5-2-3-7-17(15)19)11-9-18(23)20-13-16-6-4-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyLUYZQBIVXYKOGC-UHFFFAOYSA-N
XLogP2.52
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120936
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053913
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113135212
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113121357
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide (CID 113120923) is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccco1)CCc1ccccc1F.
What is the InChIKey of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is LUYZQBIVXYKOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-14(22)21(10-8-15-5-2-3-7-17(15)19)11-9-18(23)20-13-16-6-4-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide?
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 332.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113120923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).