3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide

C17H15F3N2O4 — CID 7927406

IUPAC3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H15F3N2O4/c1-10(25-14-8-3-2-7-13(14)18)15(23)21-22-16(24)11-5-4-6-12(9-11)26-17(19)20/h2-10,17H,1H3,(H,21,23)(H,22,24)/t10-/m0/s1
InChIKeyGKTUSQLTNBQYJJ-JTQLQIEISA-N
MW368.31 g/mol
LogP2.66
Rot. Bonds6

About 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide

3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 7927406) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID7927406
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H15F3N2O4/c1-10(25-14-8-3-2-7-13(14)18)15(23)21-22-16(24)11-5-4-6-12(9-11)26-17(19)20/h2-10,17H,1H3,(H,21,23)(H,22,24)/t10-/m0/s1
InChIKeyGKTUSQLTNBQYJJ-JTQLQIEISA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.66
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]naphthalene-2-carbohydrazide
CID 7760964
N'-[2-(2-fluorophenoxy)propanoyl]-3-(methylsulfonylmethyl)benzohydrazide
CID 55388470
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
ethyl N-[3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
CID 9373628
ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
CID 9373631
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide (CID 7927406) is 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is GKTUSQLTNBQYJJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-10(25-14-8-3-2-7-13(14)18)15(23)21-22-16(24)11-5-4-6-12(9-11)26-17(19)20/h2-10,17H,1H3,(H,21,23)(H,22,24)/t10-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 368.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 7927406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).