2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide

C13H15Cl3N2O — CID 2449358

IUPAC2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CC1CCCC1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O/c14-9-6-10(15)13(11(16)7-9)18-17-12(19)5-8-3-1-2-4-8/h6-8,18H,1-5H2,(H,17,19)
InChIKeyNHNXFDWCPJODSM-UHFFFAOYSA-N
MW321.64 g/mol
LogP4.67
Rot. Bonds4

About 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 2449358) has the molecular formula C13H15Cl3N2O and a molecular weight of 321.64 g/mol. Its IUPAC name is 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID2449358
Molecular FormulaC13H15Cl3N2O
Molecular Weight321.64 g/mol
Exact Mass320.02
IUPAC Name2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CC1CCCC1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O/c14-9-6-10(15)13(11(16)7-9)18-17-12(19)5-8-3-1-2-4-8/h6-8,18H,1-5H2,(H,17,19)
InChIKeyNHNXFDWCPJODSM-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 2449358) is 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide is O=C(CC1CCCC1)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is NHNXFDWCPJODSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O/c14-9-6-10(15)13(11(16)7-9)18-17-12(19)5-8-3-1-2-4-8/h6-8,18H,1-5H2,(H,17,19).
What are the key properties of 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 321.64 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 2449358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).