N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide

C14H9BrF2N2O2 — CID 36702536

IUPACN'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrF2N2O2/c15-9-6-4-8(5-7-9)13(20)18-19-14(21)12-10(16)2-1-3-11(12)17/h1-7H,(H,18,20)(H,19,21)
InChIKeyLKVGHUBWUHRWRD-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.80
Rot. Bonds2

About N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide

N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide (PubChem CID 36702536) has the molecular formula C14H9BrF2N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
PubChem CID36702536
Molecular FormulaC14H9BrF2N2O2
Molecular Weight355.14 g/mol
Exact Mass353.98
IUPAC NameN'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrF2N2O2/c15-9-6-4-8(5-7-9)13(20)18-19-14(21)12-10(16)2-1-3-11(12)17/h1-7H,(H,18,20)(H,19,21)
InChIKeyLKVGHUBWUHRWRD-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
[(2,6-difluorobenzoyl)amino]thiourea
CID 65217088
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide (CID 36702536) is N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide is O=C(NNC(=O)c1c(F)cccc1F)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide?
The InChIKey is LKVGHUBWUHRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O2/c15-9-6-4-8(5-7-9)13(20)18-19-14(21)12-10(16)2-1-3-11(12)17/h1-7H,(H,18,20)(H,19,21).
What are the key properties of N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide?
N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide has a molecular weight of 355.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide is sourced from PubChem (CID 36702536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).