2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide

C16H14BrFN2O3 — CID 2124711

IUPAC2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O3/c17-12-6-4-11(5-7-12)8-15(21)19-20-16(22)10-23-14-3-1-2-13(18)9-14/h1-7,9H,8,10H2,(H,19,21)(H,20,22)
InChIKeyKFJMXSAHYHGHPH-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide

2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide (PubChem CID 2124711) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
PubChem CID2124711
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Name2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O3/c17-12-6-4-11(5-7-12)8-15(21)19-20-16(22)10-23-14-3-1-2-13(18)9-14/h1-7,9H,8,10H2,(H,19,21)(H,20,22)
InChIKeyKFJMXSAHYHGHPH-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.36
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

[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2121868
4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4788595
N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
N'-[(2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139322
N'-[2-(2-fluorophenoxy)propanoyl]-3-phenylbutanehydrazide
CID 24979804
N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide
CID 2079636
N-[2-(4-bromophenoxy)acetylamino]-3-phenylpropanamide
CID 3139325
2-[4-[(4-Bromophenyl)methoxy]phenyl]acetamide
CID 44371589
N-[2-(2-bromo-4-methylphenoxy)acetylamino]-3-phenylpropanamide
CID 3139327
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139334
2-(4-bromo-2-methylphenoxy)-N'-(phenylacetyl)acetohydrazide
CID 1047994
N'-[2-(3-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139323

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide (CID 2124711) is 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide is O=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The InChIKey is KFJMXSAHYHGHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c17-12-6-4-11(5-7-12)8-15(21)19-20-16(22)10-23-14-3-1-2-13(18)9-14/h1-7,9H,8,10H2,(H,19,21)(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide has a molecular weight of 381.20 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 2124711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).