N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide

C17H17FN2O3S — CID 8640641

IUPACN'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
SMILESCSc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3S/c1-11(23-15-6-4-3-5-14(15)18)16(21)19-20-17(22)12-7-9-13(24-2)10-8-12/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyPLVIZZYCLHKSHK-LLVKDONJSA-N
MW348.40 g/mol
LogP2.78
Rot. Bonds5

About N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide

N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide (PubChem CID 8640641) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
PubChem CID8640641
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
SMILESCSc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3S/c1-11(23-15-6-4-3-5-14(15)18)16(21)19-20-17(22)12-7-9-13(24-2)10-8-12/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyPLVIZZYCLHKSHK-LLVKDONJSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
4-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7761024
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 9064395
4-[(1,3-dioxoisoindol-2-yl)methyl]-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 46642922
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
The IUPAC name of N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide (CID 8640641) is N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide is CSc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1.
What is the InChIKey of N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
The InChIKey is PLVIZZYCLHKSHK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11(23-15-6-4-3-5-14(15)18)16(21)19-20-17(22)12-7-9-13(24-2)10-8-12/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide?
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide has a molecular weight of 348.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide is sourced from PubChem (CID 8640641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).