5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C17H18FNO5 — CID 119221714

IUPAC5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C(C)Oc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C17H18FNO5/c1-10-15(17(21)22)8-14(23-10)9-19(3)16(20)11(2)24-13-6-4-12(18)5-7-13/h4-8,11H,9H2,1-3H3,(H,21,22)
InChIKeyLASGBBOWXZHMCQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.85
Rot. Bonds6

About 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119221714) has the molecular formula C17H18FNO5 and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119221714
Molecular FormulaC17H18FNO5
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C(C)Oc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C17H18FNO5/c1-10-15(17(21)22)8-14(23-10)9-19(3)16(20)11(2)24-13-6-4-12(18)5-7-13/h4-8,11H,9H2,1-3H3,(H,21,22)
InChIKeyLASGBBOWXZHMCQ-UHFFFAOYSA-N
XLogP2.85
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222703
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 47042167
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
5-[[2-benzylsulfanylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222346
2-methyl-5-[[2-(4-methylsulfanylphenoxy)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226845
5-[[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221926
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222002
5-[[[2-(3-fluorophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222738
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119221714) is 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)C(C)Oc2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is LASGBBOWXZHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5/c1-10-15(17(21)22)8-14(23-10)9-19(3)16(20)11(2)24-13-6-4-12(18)5-7-13/h4-8,11H,9H2,1-3H3,(H,21,22).
What are the key properties of 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 335.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119221714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).