4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide

C16H14ClF3N2O2 — CID 162590116

IUPAC4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
SMILESO=C(NNCCc1cccc(C(F)(F)F)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O2/c17-12-6-4-11(5-7-12)15(24)22-21-9-8-10-2-1-3-13(14(10)23)16(18,19)20/h1-7,21,23H,8-9H2,(H,22,24)
InChIKeyGVROMRQQBMZDMY-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide

4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide (PubChem CID 162590116) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
PubChem CID162590116
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC Name4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
SMILESO=C(NNCCc1cccc(C(F)(F)F)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O2/c17-12-6-4-11(5-7-12)15(24)22-21-9-8-10-2-1-3-13(14(10)23)16(18,19)20/h1-7,21,23H,8-9H2,(H,22,24)
InChIKeyGVROMRQQBMZDMY-UHFFFAOYSA-N
XLogP3.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide (CID 162590116) is 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide is O=C(NNCCc1cccc(C(F)(F)F)c1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The InChIKey is GVROMRQQBMZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-12-6-4-11(5-7-12)15(24)22-21-9-8-10-2-1-3-13(14(10)23)16(18,19)20/h1-7,21,23H,8-9H2,(H,22,24).
What are the key properties of 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide has a molecular weight of 358.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[2-hydroxy-3-(trifluoromethyl)phenyl]ethyl]benzohydrazide is sourced from PubChem (CID 162590116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).