N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide

C17H15BrF2N2O3 — CID 55857189

IUPACN'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C17H15BrF2N2O3/c1-10(25-13-5-3-12(19)4-6-13)17(24)22-21-16(23)9-11-2-7-15(20)14(18)8-11/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyGUMZCDRLDLNFFQ-UHFFFAOYSA-N
MW413.22 g/mol
LogP2.88
Rot. Bonds5

About N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide

N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 55857189) has the molecular formula C17H15BrF2N2O3 and a molecular weight of 413.22 g/mol. Its IUPAC name is N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID55857189
Molecular FormulaC17H15BrF2N2O3
Molecular Weight413.22 g/mol
Exact Mass412.02
IUPAC NameN'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C17H15BrF2N2O3/c1-10(25-13-5-3-12(19)4-6-13)17(24)22-21-16(23)9-11-2-7-15(20)14(18)8-11/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyGUMZCDRLDLNFFQ-UHFFFAOYSA-N
XLogP2.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 52.88
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)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2R)-2-(4-fluorophenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
CID 7965258
N'-[2-(2,4-dimethoxyphenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 46521372
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 4820851
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide (CID 55857189) is N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is GUMZCDRLDLNFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O3/c1-10(25-13-5-3-12(19)4-6-13)17(24)22-21-16(23)9-11-2-7-15(20)14(18)8-11/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 413.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 55857189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).