3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide

C15H11Br2FN2O3 — CID 78877450

IUPAC3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H11Br2FN2O3/c16-10-1-3-13(4-2-10)23-8-14(21)19-20-15(22)9-5-11(17)7-12(18)6-9/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyXFGFSFWOQNMQTB-UHFFFAOYSA-N
MW446.07 g/mol
LogP3.19
Rot. Bonds4

About 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide

3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide (PubChem CID 78877450) has the molecular formula C15H11Br2FN2O3 and a molecular weight of 446.07 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
PubChem CID78877450
Molecular FormulaC15H11Br2FN2O3
Molecular Weight446.07 g/mol
Exact Mass443.91
IUPAC Name3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H11Br2FN2O3/c16-10-1-3-13(4-2-10)23-8-14(21)19-20-15(22)9-5-11(17)7-12(18)6-9/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyXFGFSFWOQNMQTB-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.07
LogP ≤ 53.19
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

4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide (CID 78877450) is 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide is O=C(COc1ccc(Br)cc1)NNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide?
The InChIKey is XFGFSFWOQNMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FN2O3/c16-10-1-3-13(4-2-10)23-8-14(21)19-20-15(22)9-5-11(17)7-12(18)6-9/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide?
3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide has a molecular weight of 446.07 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide is sourced from PubChem (CID 78877450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).