4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide

C12H13BrN2O2 — CID 27663274

IUPAC4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide
SMILESC[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c1-7-6-10(7)12(17)15-14-11(16)8-2-4-9(13)5-3-8/h2-5,7,10H,6H2,1H3,(H,14,16)(H,15,17)/t7-,10-/m0/s1
InChIKeyHPAIGOCGEIBNLL-XVKPBYJWSA-N
MW297.15 g/mol
LogP1.87
Rot. Bonds2

About 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide

4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide (PubChem CID 27663274) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide
PubChem CID27663274
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide
SMILESC[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c1-7-6-10(7)12(17)15-14-11(16)8-2-4-9(13)5-3-8/h2-5,7,10H,6H2,1H3,(H,14,16)(H,15,17)/t7-,10-/m0/s1
InChIKeyHPAIGOCGEIBNLL-XVKPBYJWSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.87
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 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide (CID 27663274) is 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide is C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide?
The InChIKey is HPAIGOCGEIBNLL-XVKPBYJWSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7-6-10(7)12(17)15-14-11(16)8-2-4-9(13)5-3-8/h2-5,7,10H,6H2,1H3,(H,14,16)(H,15,17)/t7-,10-/m0/s1.
What are the key properties of 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide?
4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide has a molecular weight of 297.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide is sourced from PubChem (CID 27663274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).