[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate

C16H12BrFN2O4 — CID 2511431

IUPAC[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrFN2O4/c17-11-7-5-10(6-8-11)15(22)20-19-14(21)9-24-16(23)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeyQCXADTQVCOTAKM-UHFFFAOYSA-N
MW395.18 g/mol
LogP2.21
Rot. Bonds4

About [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate

[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2511431) has the molecular formula C16H12BrFN2O4 and a molecular weight of 395.18 g/mol. Its IUPAC name is [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
PubChem CID2511431
Molecular FormulaC16H12BrFN2O4
Molecular Weight395.18 g/mol
Exact Mass394.00
IUPAC Name[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrFN2O4/c17-11-7-5-10(6-8-11)15(22)20-19-14(21)9-24-16(23)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeyQCXADTQVCOTAKM-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.18
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724098
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4779917
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538501
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387892
N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
CID 36702536
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate (CID 2511431) is [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is QCXADTQVCOTAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O4/c17-11-7-5-10(6-8-11)15(22)20-19-14(21)9-24-16(23)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,21)(H,20,22).
What are the key properties of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate?
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 395.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 2511431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).