3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide

C15H14F3NO3 — CID 47048652

IUPAC3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C15H14F3NO3/c16-15(17,18)8-14(20)19-12-4-1-3-11(7-12)9-21-10-13-5-2-6-22-13/h1-7H,8-10H2,(H,19,20)
InChIKeyGYUZGHBFLZGRPH-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.89
Rot. Bonds6

About 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide

3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide (PubChem CID 47048652) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
PubChem CID47048652
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C15H14F3NO3/c16-15(17,18)8-14(20)19-12-4-1-3-11(7-12)9-21-10-13-5-2-6-22-13/h1-7H,8-10H2,(H,19,20)
InChIKeyGYUZGHBFLZGRPH-UHFFFAOYSA-N
XLogP3.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
2-cyclohexyloxy-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 87006772
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
2-(3,4-dimethylphenoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 55806817
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55806853
3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 55807106
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide (CID 47048652) is 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide is O=C(CC(F)(F)F)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The InChIKey is GYUZGHBFLZGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c16-15(17,18)8-14(20)19-12-4-1-3-11(7-12)9-21-10-13-5-2-6-22-13/h1-7H,8-10H2,(H,19,20).
What are the key properties of 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide has a molecular weight of 313.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 47048652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).