5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

C16H12ClF3N2O4 — CID 55628971

IUPAC5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1ccccc1C(F)(F)F)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H12ClF3N2O4/c17-9-5-6-12(23)10(7-9)15(25)22-21-14(24)8-26-13-4-2-1-3-11(13)16(18,19)20/h1-7,23H,8H2,(H,21,24)(H,22,25)
InChIKeyFBBDYFYJPZXBIX-UHFFFAOYSA-N
MW388.73 g/mol
LogP2.90
Rot. Bonds4

About 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (PubChem CID 55628971) has the molecular formula C16H12ClF3N2O4 and a molecular weight of 388.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
PubChem CID55628971
Molecular FormulaC16H12ClF3N2O4
Molecular Weight388.73 g/mol
Exact Mass388.04
IUPAC Name5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1ccccc1C(F)(F)F)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H12ClF3N2O4/c17-9-5-6-12(23)10(7-9)15(25)22-21-14(24)8-26-13-4-2-1-3-11(13)16(18,19)20/h1-7,23H,8H2,(H,21,24)(H,22,25)
InChIKeyFBBDYFYJPZXBIX-UHFFFAOYSA-N
XLogP2.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.73
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986
[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 87565289
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8850644
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide
CID 166235169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (CID 55628971) is 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is O=C(COc1ccccc1C(F)(F)F)NNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The InChIKey is FBBDYFYJPZXBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O4/c17-9-5-6-12(23)10(7-9)15(25)22-21-14(24)8-26-13-4-2-1-3-11(13)16(18,19)20/h1-7,23H,8H2,(H,21,24)(H,22,25).
What are the key properties of 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide has a molecular weight of 388.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 55628971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).