(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide

C20H21F3N2O3 — CID 8880338

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C20H21F3N2O3/c1-12-6-4-9-17(13(12)2)28-14(3)19(27)25-24-18(26)11-15-7-5-8-16(10-15)20(21,22)23/h4-10,14H,11H2,1-3H3,(H,24,26)(H,25,27)/t14-/m1/s1
InChIKeyTWCRQIZVXMBKQL-CQSZACIVSA-N
MW394.39 g/mol
LogP3.48
Rot. Bonds5

About (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide

(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide (PubChem CID 8880338) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
PubChem CID8880338
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C20H21F3N2O3/c1-12-6-4-9-17(13(12)2)28-14(3)19(27)25-24-18(26)11-15-7-5-8-16(10-15)20(21,22)23/h4-10,14H,11H2,1-3H3,(H,24,26)(H,25,27)/t14-/m1/s1
InChIKeyTWCRQIZVXMBKQL-CQSZACIVSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.48
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
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide
CID 45354022
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide (CID 8880338) is (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
The InChIKey is TWCRQIZVXMBKQL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-12-6-4-9-17(13(12)2)28-14(3)19(27)25-24-18(26)11-15-7-5-8-16(10-15)20(21,22)23/h4-10,14H,11H2,1-3H3,(H,24,26)(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide?
(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide has a molecular weight of 394.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide is sourced from PubChem (CID 8880338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).