4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide

C14H17F3N2O3 — CID 9088080

IUPAC4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C[C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c1-3-9-4-6-10(7-5-9)12(21)19-18-11(20)8-13(2,22)14(15,16)17/h4-7,22H,3,8H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeySCBBKRRDBIWZCY-CYBMUJFWSA-N
MW318.29 g/mol
LogP1.71
Rot. Bonds4

About 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide

4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide (PubChem CID 9088080) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
PubChem CID9088080
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C[C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c1-3-9-4-6-10(7-5-9)12(21)19-18-11(20)8-13(2,22)14(15,16)17/h4-7,22H,3,8H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeySCBBKRRDBIWZCY-CYBMUJFWSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide (CID 9088080) is 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)C[C@@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
The InChIKey is SCBBKRRDBIWZCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-3-9-4-6-10(7-5-9)12(21)19-18-11(20)8-13(2,22)14(15,16)17/h4-7,22H,3,8H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide has a molecular weight of 318.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide is sourced from PubChem (CID 9088080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).