2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide

C14H17F3N2O3 — CID 9084836

IUPAC2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)c(C)c1
InChIInChI=1S/C14H17F3N2O3/c1-8-4-5-10(9(2)6-8)12(21)19-18-11(20)7-13(3,22)14(15,16)17/h4-6,22H,7H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyWVQFRBYLUDURNV-ZDUSSCGKSA-N
MW318.30 g/mol
LogP1.77
Rot. Bonds3

About 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide

2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide (PubChem CID 9084836) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
PubChem CID9084836
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)c(C)c1
InChIInChI=1S/C14H17F3N2O3/c1-8-4-5-10(9(2)6-8)12(21)19-18-11(20)7-13(3,22)14(15,16)17/h4-6,22H,7H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyWVQFRBYLUDURNV-ZDUSSCGKSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.77
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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Related Compounds

4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 9088080
(3S)-N-(2,5-dimethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 8867596
4-nitro-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 8869434
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
The IUPAC name of 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide (CID 9084836) is 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
The InChIKey is WVQFRBYLUDURNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-8-4-5-10(9(2)6-8)12(21)19-18-11(20)7-13(3,22)14(15,16)17/h4-6,22H,7H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide?
2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide has a molecular weight of 318.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide is sourced from PubChem (CID 9084836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).