N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide

C17H14F4N2O3 — CID 7965154

IUPACN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c1-10(26-14-7-5-13(18)6-8-14)15(24)22-23-16(25)11-3-2-4-12(9-11)17(19,20)21/h2-10H,1H3,(H,22,24)(H,23,25)/t10-/m0/s1
InChIKeyUFRWATKZJRMXME-JTQLQIEISA-N
MW370.30 g/mol
LogP3.07
Rot. Bonds4

About N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide (PubChem CID 7965154) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
PubChem CID7965154
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c1-10(26-14-7-5-13(18)6-8-14)15(24)22-23-16(25)11-3-2-4-12(9-11)17(19,20)21/h2-10H,1H3,(H,22,24)(H,23,25)/t10-/m0/s1
InChIKeyUFRWATKZJRMXME-JTQLQIEISA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
CID 7965258
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
CID 27813982
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55702645
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide (CID 7965154) is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide?
The InChIKey is UFRWATKZJRMXME-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-10(26-14-7-5-13(18)6-8-14)15(24)22-23-16(25)11-3-2-4-12(9-11)17(19,20)21/h2-10H,1H3,(H,22,24)(H,23,25)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide?
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide has a molecular weight of 370.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 7965154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).