4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide

C16H13F3N2O4 — CID 59422031

IUPAC4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)13-8-11(23)4-5-12(13)15(25)21-20-14(24)7-9-2-1-3-10(22)6-9/h1-6,8,22-23H,7H2,(H,20,24)(H,21,25)
InChIKeyCGDVTDSCDSPZQI-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.12
Rot. Bonds3

About 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide

4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide (PubChem CID 59422031) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide
PubChem CID59422031
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)13-8-11(23)4-5-12(13)15(25)21-20-14(24)7-9-2-1-3-10(22)6-9/h1-6,8,22-23H,7H2,(H,20,24)(H,21,25)
InChIKeyCGDVTDSCDSPZQI-UHFFFAOYSA-N
XLogP2.12
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
benzyl 4-hydroxy-2-(trifluoromethyl)benzoate
CID 66761869
2-(3-hydroxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55220652
2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
CID 59421984
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
CID 59421966
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide
CID 89245814

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide (CID 59422031) is 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide is O=C(Cc1cccc(O)c1)NNC(=O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide?
The InChIKey is CGDVTDSCDSPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c17-16(18,19)13-8-11(23)4-5-12(13)15(25)21-20-14(24)7-9-2-1-3-10(22)6-9/h1-6,8,22-23H,7H2,(H,20,24)(H,21,25).
What are the key properties of 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide?
4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide has a molecular weight of 354.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 59422031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).