5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid

C16H14F3NO5 — CID 119246153

IUPAC5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C16H14F3NO5/c17-16(18,19)25-11-4-1-10(2-5-11)3-8-14(21)20-9-12-6-7-13(24-12)15(22)23/h1-2,4-7H,3,8-9H2,(H,20,21)(H,22,23)
InChIKeyAVMFYVCYENYUIB-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.13
Rot. Bonds7

About 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid

5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid (PubChem CID 119246153) has the molecular formula C16H14F3NO5 and a molecular weight of 357.28 g/mol. Its IUPAC name is 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid
PubChem CID119246153
Molecular FormulaC16H14F3NO5
Molecular Weight357.28 g/mol
Exact Mass357.08
IUPAC Name5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C16H14F3NO5/c17-16(18,19)25-11-4-1-10(2-5-11)3-8-14(21)20-9-12-6-7-13(24-12)15(22)23/h1-2,4-7H,3,8-9H2,(H,20,21)(H,22,23)
InChIKeyAVMFYVCYENYUIB-UHFFFAOYSA-N
XLogP3.13
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529030
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
5-[[[4-(2-carboxyethyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 57162604
5-[[2-(trifluoromethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63316722
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
5-(methoxymethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78882053

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid (CID 119246153) is 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid is O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid?
The InChIKey is AVMFYVCYENYUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO5/c17-16(18,19)25-11-4-1-10(2-5-11)3-8-14(21)20-9-12-6-7-13(24-12)15(22)23/h1-2,4-7H,3,8-9H2,(H,20,21)(H,22,23).
What are the key properties of 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid?
5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid has a molecular weight of 357.28 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).