2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide

C13H13Cl3N2O — CID 47113407

IUPAC2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CC1C=CCC1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N2O/c14-9-6-10(15)13(11(16)7-9)18-17-12(19)5-8-3-1-2-4-8/h1,3,6-8,18H,2,4-5H2,(H,17,19)
InChIKeyBPXXRVPIKSQLPQ-UHFFFAOYSA-N
MW319.62 g/mol
LogP4.45
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 47113407) has the molecular formula C13H13Cl3N2O and a molecular weight of 319.62 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID47113407
Molecular FormulaC13H13Cl3N2O
Molecular Weight319.62 g/mol
Exact Mass318.01
IUPAC Name2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CC1C=CCC1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N2O/c14-9-6-10(15)13(11(16)7-9)18-17-12(19)5-8-3-1-2-4-8/h1,3,6-8,18H,2,4-5H2,(H,17,19)
InChIKeyBPXXRVPIKSQLPQ-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.62
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
CID 46098139
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 103730318
2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
CID 94194107
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
2-(4-hydroxyphenyl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 78838857
[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
CID 18288669
N'-(2-cyclopent-2-en-1-ylacetyl)-4-methylbenzohydrazide
CID 46652039
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
CID 9038011
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 39271822

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 47113407) is 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide is O=C(CC1C=CCC1)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is BPXXRVPIKSQLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2O/c14-9-6-10(15)13(11(16)7-9)18-17-12(19)5-8-3-1-2-4-8/h1,3,6-8,18H,2,4-5H2,(H,17,19).
What are the key properties of 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 319.62 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 47113407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).