(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide

C18H16F4N2O3 — CID 7965258

IUPAC(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N2O3/c1-11(27-15-7-5-14(19)6-8-15)17(26)24-23-16(25)10-12-3-2-4-13(9-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)/t11-/m1/s1
InChIKeyBDSAYJSFVZDBRR-LLVKDONJSA-N
MW384.33 g/mol
LogP3.00
Rot. Bonds5

About (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide

(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide (PubChem CID 7965258) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
PubChem CID7965258
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N2O3/c1-11(27-15-7-5-14(19)6-8-15)17(26)24-23-16(25)10-12-3-2-4-13(9-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)/t11-/m1/s1
InChIKeyBDSAYJSFVZDBRR-LLVKDONJSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.00
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-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
CID 8880338
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55857189
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 4820851
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
N'-[2-(2,4-dimethoxyphenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 46521372
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide (CID 7965258) is (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
The InChIKey is BDSAYJSFVZDBRR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-11(27-15-7-5-14(19)6-8-15)17(26)24-23-16(25)10-12-3-2-4-13(9-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide has a molecular weight of 384.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide is sourced from PubChem (CID 7965258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).