3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide

C14H12ClF3N2O2 — CID 2869286

IUPAC3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClF3N2O2/c15-9-4-1-3-8(7-9)13(22)20-19-11-6-2-5-10(11)12(21)14(16,17)18/h1,3-4,7,19H,2,5-6H2,(H,20,22)
InChIKeyKERYBVXPXPANOI-UHFFFAOYSA-N
MW332.71 g/mol
LogP3.14
Rot. Bonds4

About 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide

3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide (PubChem CID 2869286) has the molecular formula C14H12ClF3N2O2 and a molecular weight of 332.71 g/mol. Its IUPAC name is 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
PubChem CID2869286
Molecular FormulaC14H12ClF3N2O2
Molecular Weight332.71 g/mol
Exact Mass332.05
IUPAC Name3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClF3N2O2/c15-9-4-1-3-8(7-9)13(22)20-19-11-6-2-5-10(11)12(21)14(16,17)18/h1,3-4,7,19H,2,5-6H2,(H,20,22)
InChIKeyKERYBVXPXPANOI-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide (CID 2869286) is 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide is O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The InChIKey is KERYBVXPXPANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2/c15-9-4-1-3-8(7-9)13(22)20-19-11-6-2-5-10(11)12(21)14(16,17)18/h1,3-4,7,19H,2,5-6H2,(H,20,22).
What are the key properties of 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide has a molecular weight of 332.71 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide is sourced from PubChem (CID 2869286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).