2-chloro-5-cyclopent-2-en-1-ylbenzamide

C12H12ClNO — CID 57422940

IUPAC2-chloro-5-cyclopent-2-en-1-ylbenzamide
SMILESNC(=O)c1cc(C2C=CCC2)ccc1Cl
InChIInChI=1S/C12H12ClNO/c13-11-6-5-9(7-10(11)12(14)15)8-3-1-2-4-8/h1,3,5-8H,2,4H2,(H2,14,15)
InChIKeyKNIUNTBGNQVDBC-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.87
Rot. Bonds2

About 2-chloro-5-cyclopent-2-en-1-ylbenzamide

2-chloro-5-cyclopent-2-en-1-ylbenzamide (PubChem CID 57422940) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-5-cyclopent-2-en-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-cyclopent-2-en-1-ylbenzamide
PubChem CID57422940
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-chloro-5-cyclopent-2-en-1-ylbenzamide
SMILESNC(=O)c1cc(C2C=CCC2)ccc1Cl
InChIInChI=1S/C12H12ClNO/c13-11-6-5-9(7-10(11)12(14)15)8-3-1-2-4-8/h1,3,5-8H,2,4H2,(H2,14,15)
InChIKeyKNIUNTBGNQVDBC-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopent-2-en-1-ylbenzamide?
The IUPAC name of 2-chloro-5-cyclopent-2-en-1-ylbenzamide (CID 57422940) is 2-chloro-5-cyclopent-2-en-1-ylbenzamide.
What is the SMILES notation for 2-chloro-5-cyclopent-2-en-1-ylbenzamide?
The canonical SMILES for 2-chloro-5-cyclopent-2-en-1-ylbenzamide is NC(=O)c1cc(C2C=CCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyclopent-2-en-1-ylbenzamide?
The InChIKey is KNIUNTBGNQVDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-11-6-5-9(7-10(11)12(14)15)8-3-1-2-4-8/h1,3,5-8H,2,4H2,(H2,14,15).
What are the key properties of 2-chloro-5-cyclopent-2-en-1-ylbenzamide?
2-chloro-5-cyclopent-2-en-1-ylbenzamide has a molecular weight of 221.69 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopent-2-en-1-ylbenzamide is sourced from PubChem (CID 57422940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).