(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide

C17H16BrFN2O3 — CID 9371318

IUPAC(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H16BrFN2O3/c1-11(24-15-7-3-5-13(18)10-15)17(23)21-20-16(22)9-12-4-2-6-14(19)8-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyGQAIGSOXPMAJQI-LLVKDONJSA-N
MW395.23 g/mol
LogP2.75
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide (PubChem CID 9371318) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
PubChem CID9371318
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H16BrFN2O3/c1-11(24-15-7-3-5-13(18)10-15)17(23)21-20-16(22)9-12-4-2-6-14(19)8-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyGQAIGSOXPMAJQI-LLVKDONJSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.75
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

(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
CID 7965258
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55857189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide (CID 9371318) is (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide is C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1cccc(F)c1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide?
The InChIKey is GQAIGSOXPMAJQI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-11(24-15-7-3-5-13(18)10-15)17(23)21-20-16(22)9-12-4-2-6-14(19)8-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide has a molecular weight of 395.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 9371318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).