4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C14H15ClN2O3 — CID 79216656

IUPAC4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1ccc(NC(=O)NC2C=CC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-8-2-4-11(7-12(8)15)17-14(20)16-10-5-3-9(6-10)13(18)19/h2-5,7,9-10H,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWHJMEACJRXIIJW-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.80
Rot. Bonds3

About 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216656) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216656
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1ccc(NC(=O)NC2C=CC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-8-2-4-11(7-12(8)15)17-14(20)16-10-5-3-9(6-10)13(18)19/h2-5,7,9-10H,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWHJMEACJRXIIJW-UHFFFAOYSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79215986
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210577
4-[(4-cyanophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216941
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216088
(1R,2S,3S,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98292039
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea
CID 66196336
1-(3-chloro-4-methylphenyl)-3-cyanourea
CID 115571570
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216656) is 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is Cc1ccc(NC(=O)NC2C=CC(C(=O)O)C2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WHJMEACJRXIIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-2-4-11(7-12(8)15)17-14(20)16-10-5-3-9(6-10)13(18)19/h2-5,7,9-10H,6H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).