5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C17H16FNO4 — CID 119226939

IUPAC5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O
InChIInChI=1S/C17H16FNO4/c1-10-12(15(20)21)8-11(23-10)9-19-16(22)17(6-7-17)13-4-2-3-5-14(13)18/h2-5,8H,6-7,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyMEMDKAKCPZBOKG-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.77
Rot. Bonds5

About 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226939) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226939
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O
InChIInChI=1S/C17H16FNO4/c1-10-12(15(20)21)8-11(23-10)9-19-16(22)17(6-7-17)13-4-2-3-5-14(13)18/h2-5,8H,6-7,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyMEMDKAKCPZBOKG-UHFFFAOYSA-N
XLogP2.77
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]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

2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(2-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024174
2-methyl-5-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226811
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 119169544
1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 110245229
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523934
methyl 5-[[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 71897404
5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024175

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226939) is 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O.
What is the InChIKey of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is MEMDKAKCPZBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-10-12(15(20)21)8-11(23-10)9-19-16(22)17(6-7-17)13-4-2-3-5-14(13)18/h2-5,8H,6-7,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).