N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide

C14H15FN2O2 — CID 47113476

IUPACN'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
SMILESO=C(CC1C=CCC1)NNC(=O)c1ccccc1F
InChIInChI=1S/C14H15FN2O2/c15-12-8-4-3-7-11(12)14(19)17-16-13(18)9-10-5-1-2-6-10/h1,3-5,7-8,10H,2,6,9H2,(H,16,18)(H,17,19)
InChIKeyIXSGEGUMLJJOTI-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.94
Rot. Bonds3

About N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide

N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide (PubChem CID 47113476) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
PubChem CID47113476
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
SMILESO=C(CC1C=CCC1)NNC(=O)c1ccccc1F
InChIInChI=1S/C14H15FN2O2/c15-12-8-4-3-7-11(12)14(19)17-16-13(18)9-10-5-1-2-6-10/h1,3-5,7-8,10H,2,6,9H2,(H,16,18)(H,17,19)
InChIKeyIXSGEGUMLJJOTI-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.94
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

2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
CID 94194107
N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide
CID 46653754
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273888
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25354662
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160970
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate
CID 7514436
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066149
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9327417
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
CID 9326033

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide?
The IUPAC name of N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide (CID 47113476) is N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide?
The canonical SMILES for N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide is O=C(CC1C=CCC1)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide?
The InChIKey is IXSGEGUMLJJOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-12-8-4-3-7-11(12)14(19)17-16-13(18)9-10-5-1-2-6-10/h1,3-5,7-8,10H,2,6,9H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide?
N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide has a molecular weight of 262.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide is sourced from PubChem (CID 47113476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).