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

C17H18FNO4 — CID 119222703

IUPAC5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C(C)c2cccc(F)c2)cc1C(=O)O
InChIInChI=1S/C17H18FNO4/c1-10(12-5-4-6-13(18)7-12)16(20)19(3)9-14-8-15(17(21)22)11(2)23-14/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyOVMHJTGAZXZPCU-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.19
Rot. Bonds5

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

5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222703) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222703
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C(C)c2cccc(F)c2)cc1C(=O)O
InChIInChI=1S/C17H18FNO4/c1-10(12-5-4-6-13(18)7-12)16(20)19(3)9-14-8-15(17(21)22)11(2)23-14/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyOVMHJTGAZXZPCU-UHFFFAOYSA-N
XLogP3.19
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[2-(3-fluorophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222738
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286
5-[[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222564
5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221714
5-[[3-(4-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222140
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
5-[[2-but-3-enoxypropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222237
2-methyl-5-[[methyl(3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 43570316
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
2-methyl-5-[[methyl-[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222474

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222703) is 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)C(C)c2cccc(F)c2)cc1C(=O)O.
What is the InChIKey of 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is OVMHJTGAZXZPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10(12-5-4-6-13(18)7-12)16(20)19(3)9-14-8-15(17(21)22)11(2)23-14/h4-8,10H,9H2,1-3H3,(H,21,22).
What are the key properties of 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).