4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid

C20H22FNO4 — CID 119229769

IUPAC4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22FNO4/c21-17-4-2-1-3-16(17)18-11-9-15(26-18)10-12-19(23)22-14-7-5-13(6-8-14)20(24)25/h1-4,9,11,13-14H,5-8,10,12H2,(H,22,23)(H,24,25)
InChIKeyVPFMWTCNMZNHNE-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.78
Rot. Bonds6

About 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid

4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119229769) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119229769
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22FNO4/c21-17-4-2-1-3-16(17)18-11-9-15(26-18)10-12-19(23)22-14-7-5-13(6-8-14)20(24)25/h1-4,9,11,13-14H,5-8,10,12H2,(H,22,23)(H,24,25)
InChIKeyVPFMWTCNMZNHNE-UHFFFAOYSA-N
XLogP3.78
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-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

N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpiperidin-4-yl)propanamide
CID 120600684
1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354766
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-(2-amino-1-cyclopropylethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119614985
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid
CID 119202954
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid (CID 119229769) is 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCc1ccc(-c2ccccc2F)o1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VPFMWTCNMZNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c21-17-4-2-1-3-16(17)18-11-9-15(26-18)10-12-19(23)22-14-7-5-13(6-8-14)20(24)25/h1-4,9,11,13-14H,5-8,10,12H2,(H,22,23)(H,24,25).
What are the key properties of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).