4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid

C15H17FN2O3 — CID 79191793

IUPAC4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NCCc1ccccc1F)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H17FN2O3/c16-13-4-2-1-3-10(13)7-8-17-15(21)18-12-6-5-11(9-12)14(19)20/h1-6,11-12H,7-9H2,(H,19,20)(H2,17,18,21)
InChIKeyDFIUVYRCDJONLG-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.70
Rot. Bonds5

About 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191793) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79191793
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NCCc1ccccc1F)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H17FN2O3/c16-13-4-2-1-3-10(13)7-8-17-15(21)18-12-6-5-11(9-12)14(19)20/h1-6,11-12H,7-9H2,(H,19,20)(H2,17,18,21)
InChIKeyDFIUVYRCDJONLG-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-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

4-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79757554
4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216562
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027
1-[2-(2,4-difluorophenyl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631011
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
4-[3-(2-fluorophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79209352
4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216504
trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79191793) is 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is O=C(NCCc1ccccc1F)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is DFIUVYRCDJONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-4-2-1-3-10(13)7-8-17-15(21)18-12-6-5-11(9-12)14(19)20/h1-6,11-12H,7-9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).