2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide

C17H19FN2O3 — CID 56819916

IUPAC2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
SMILESNC(=O)C(CNC(=O)CCc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3/c18-14-5-3-12(4-6-14)10-13(17(19)22)11-20-16(21)8-7-15-2-1-9-23-15/h1-6,9,13H,7-8,10-11H2,(H2,19,22)(H,20,21)
InChIKeyTUGNISVTQLUDNG-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.81
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide

2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide (PubChem CID 56819916) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
PubChem CID56819916
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
SMILESNC(=O)C(CNC(=O)CCc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3/c18-14-5-3-12(4-6-14)10-13(17(19)22)11-20-16(21)8-7-15-2-1-9-23-15/h1-6,9,13H,7-8,10-11H2,(H2,19,22)(H,20,21)
InChIKeyTUGNISVTQLUDNG-UHFFFAOYSA-N
XLogP1.81
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
CID 95590923
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
CID 60601122
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 60587594
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
CID 76952808
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
(2S)-2-[[(2-cyclohexyloxyacetyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95583426
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide (CID 56819916) is 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide is NC(=O)C(CNC(=O)CCc1ccco1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide?
The InChIKey is TUGNISVTQLUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-5-3-12(4-6-14)10-13(17(19)22)11-20-16(21)8-7-15-2-1-9-23-15/h1-6,9,13H,7-8,10-11H2,(H2,19,22)(H,20,21).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide?
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide has a molecular weight of 318.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide is sourced from PubChem (CID 56819916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).