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

C15H17ClN2O3 — CID 79193472

IUPAC4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(NC(=O)NC1C=CC(C(=O)O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c1-9(10-2-5-12(16)6-3-10)17-15(21)18-13-7-4-11(8-13)14(19)20/h2-7,9,11,13H,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyWCONXCIWKNIWKA-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.73
Rot. Bonds4

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

4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79193472) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79193472
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(NC(=O)NC1C=CC(C(=O)O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c1-9(10-2-5-12(16)6-3-10)17-15(21)18-13-7-4-11(8-13)14(19)20/h2-7,9,11,13H,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyWCONXCIWKNIWKA-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(4-chlorophenyl)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-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216506
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methylphenyl)ethyl]urea
CID 111630678
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 111630345
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498873
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192813
4-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192276
4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215973
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631154
1-[1-(4-chlorophenyl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 42954561

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79193472) is 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is CC(NC(=O)NC1C=CC(C(=O)O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WCONXCIWKNIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(10-2-5-12(16)6-3-10)17-15(21)18-13-7-4-11(8-13)14(19)20/h2-7,9,11,13H,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 308.77 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79193472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).