4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H13ClN2O3 — CID 79216940

IUPAC4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESNc1ccc(C(=O)NC2C=CC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C13H13ClN2O3/c14-10-6-7(2-4-11(10)15)12(17)16-9-3-1-8(5-9)13(18)19/h1-4,6,8-9H,5,15H2,(H,16,17)(H,18,19)
InChIKeyIWGKHNFSFRGRKC-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.68
Rot. Bonds3

About 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216940) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216940
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESNc1ccc(C(=O)NC2C=CC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C13H13ClN2O3/c14-10-6-7(2-4-11(10)15)12(17)16-9-3-1-8(5-9)13(18)19/h1-4,6,8-9H,5,15H2,(H,16,17)(H,18,19)
InChIKeyIWGKHNFSFRGRKC-UHFFFAOYSA-N
XLogP1.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79216940) is 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is Nc1ccc(C(=O)NC2C=CC(C(=O)O)C2)cc1Cl.
What is the InChIKey of 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is IWGKHNFSFRGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-10-6-7(2-4-11(10)15)12(17)16-9-3-1-8(5-9)13(18)19/h1-4,6,8-9H,5,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 280.71 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).