N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide

C16H13BrF2N2O3 — CID 51192759

IUPACN'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13BrF2N2O3/c1-9(24-12-4-2-3-11(17)8-12)15(22)20-21-16(23)10-5-6-13(18)14(19)7-10/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyZUBCUWOEXWFEFQ-UHFFFAOYSA-N
MW399.19 g/mol
LogP2.96
Rot. Bonds4

About N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide (PubChem CID 51192759) has the molecular formula C16H13BrF2N2O3 and a molecular weight of 399.19 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
PubChem CID51192759
Molecular FormulaC16H13BrF2N2O3
Molecular Weight399.19 g/mol
Exact Mass398.01
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13BrF2N2O3/c1-9(24-12-4-2-3-11(17)8-12)15(22)20-21-16(23)10-5-6-13(18)14(19)7-10/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyZUBCUWOEXWFEFQ-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 52.96
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

N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55821696
N'-[2-(3-bromophenoxy)propanoyl]-3-pyrrol-1-ylbenzohydrazide
CID 55406624
methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990
N-[(2S)-1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55937323
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide (CID 51192759) is N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide?
The InChIKey is ZUBCUWOEXWFEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O3/c1-9(24-12-4-2-3-11(17)8-12)15(22)20-21-16(23)10-5-6-13(18)14(19)7-10/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide has a molecular weight of 399.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide is sourced from PubChem (CID 51192759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).