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

C13H12ClNO3 — CID 79209654

IUPAC4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h1-6,8-9H,7H2,(H,15,16)(H,17,18)
InChIKeyQLYHJYUFKLXJJM-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.10
Rot. Bonds3

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

4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209654) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209654
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h1-6,8-9H,7H2,(H,15,16)(H,17,18)
InChIKeyQLYHJYUFKLXJJM-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloropyridine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210100
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
4-[(2,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114036961
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011
4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208865
4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216940
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210062
4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79209654) is 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is QLYHJYUFKLXJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h1-6,8-9H,7H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).