2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide

C14H14BrFN2O2 — CID 94194107

IUPAC2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
SMILESO=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O2/c15-12-8-10(16)5-6-11(12)14(20)18-17-13(19)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyZOMWWLUBZFPGIE-SECBINFHSA-N
MW341.18 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide

2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide (PubChem CID 94194107) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
PubChem CID94194107
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
SMILESO=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O2/c15-12-8-10(16)5-6-11(12)14(20)18-17-13(19)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyZOMWWLUBZFPGIE-SECBINFHSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.71
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'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
CID 47113476
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
2-bromo-4-fluorobenzohydrazide
CID 16780865
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273888
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25354662
N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide
CID 46653754
2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538888
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide?
The IUPAC name of 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide (CID 94194107) is 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide is O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide?
The InChIKey is ZOMWWLUBZFPGIE-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c15-12-8-10(16)5-6-11(12)14(20)18-17-13(19)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,17,19)(H,18,20)/t9-/m1/s1.
What are the key properties of 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide?
2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide has a molecular weight of 341.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 94194107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).