5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide

C16H13ClF2N2O3 — CID 9087475

IUPAC5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C16H13ClF2N2O3/c1-9(24-14-5-3-2-4-13(14)19)15(22)20-21-16(23)11-8-10(17)6-7-12(11)18/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m0/s1
InChIKeySLIZONVBZFJTAX-VIFPVBQESA-N
MW354.74 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide

5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 9087475) has the molecular formula C16H13ClF2N2O3 and a molecular weight of 354.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID9087475
Molecular FormulaC16H13ClF2N2O3
Molecular Weight354.74 g/mol
Exact Mass354.06
IUPAC Name5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C16H13ClF2N2O3/c1-9(24-14-5-3-2-4-13(14)19)15(22)20-21-16(23)11-8-10(17)6-7-12(11)18/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m0/s1
InChIKeySLIZONVBZFJTAX-VIFPVBQESA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 52.85
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

5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
CID 46452811
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
N'-[2-(2-fluorophenoxy)propanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 17499092
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 55543848
2-(2-cyanophenyl)-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 55380733
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide (CID 9087475) is 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is SLIZONVBZFJTAX-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13ClF2N2O3/c1-9(24-14-5-3-2-4-13(14)19)15(22)20-21-16(23)11-8-10(17)6-7-12(11)18/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m0/s1.
What are the key properties of 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide?
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 354.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 9087475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).