N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide

C16H15F3N2O — CID 146167409

IUPACN'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
SMILESC[C@H](NNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O/c1-11(12-7-9-14(10-8-12)16(17,18)19)20-21-15(22)13-5-3-2-4-6-13/h2-11,20H,1H3,(H,21,22)/t11-/m0/s1
InChIKeyDXNOJBYJCFRWOX-NSHDSACASA-N
MW308.30 g/mol
LogP3.70
Rot. Bonds4

About N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide

N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide (PubChem CID 146167409) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
PubChem CID146167409
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
SMILESC[C@H](NNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O/c1-11(12-7-9-14(10-8-12)16(17,18)19)20-21-15(22)13-5-3-2-4-6-13/h2-11,20H,1H3,(H,21,22)/t11-/m0/s1
InChIKeyDXNOJBYJCFRWOX-NSHDSACASA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
CID 11832930
4-(dimethylamino)-N'-(1-phenylethyl)benzohydrazide
CID 19432094
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide
CID 134945743
N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
CID 135004139
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The IUPAC name of N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide (CID 146167409) is N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide.
What is the SMILES notation for N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The canonical SMILES for N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide is C[C@H](NNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
The InChIKey is DXNOJBYJCFRWOX-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-11(12-7-9-14(10-8-12)16(17,18)19)20-21-15(22)13-5-3-2-4-6-13/h2-11,20H,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide?
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide has a molecular weight of 308.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide is sourced from PubChem (CID 146167409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).