2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

C17H21FN2O2S — CID 11919710

IUPAC2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C17H21FN2O2S/c18-14-3-1-2-4-15(14)23-10-17(22)20-19-16(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13+/m0/s1
InChIKeyZOBJIHFLBQCNQK-YNEHKIRRSA-N
MW336.43 g/mol
LogP2.89
Rot. Bonds5

About 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 11919710) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID11919710
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C17H21FN2O2S/c18-14-3-1-2-4-15(14)23-10-17(22)20-19-16(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13+/m0/s1
InChIKeyZOBJIHFLBQCNQK-YNEHKIRRSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18557265
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 79558974
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 21174904
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide
CID 26785346
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (CID 11919710) is 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is O=C(CSc1ccccc1F)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is ZOBJIHFLBQCNQK-YNEHKIRRSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c18-14-3-1-2-4-15(14)23-10-17(22)20-19-16(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13+/m0/s1.
What are the key properties of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 336.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 11919710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).