N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide

C16H14BrFN2O3 — CID 51161486

IUPACN'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H14BrFN2O3/c1-10(23-12-6-4-5-11(17)9-12)15(21)19-20-16(22)13-7-2-3-8-14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyZESBFOCPVZMNQX-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.82
Rot. Bonds4

About N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide (PubChem CID 51161486) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
PubChem CID51161486
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H14BrFN2O3/c1-10(23-12-6-4-5-11(17)9-12)15(21)19-20-16(22)13-7-2-3-8-14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyZESBFOCPVZMNQX-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.82
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'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
N-[(2S)-1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55937323
5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
N'-[2-(3-bromophenoxy)propanoyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55821696
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide (CID 51161486) is N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is ZESBFOCPVZMNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-10(23-12-6-4-5-11(17)9-12)15(21)19-20-16(22)13-7-2-3-8-14(13)18/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide has a molecular weight of 381.20 g/mol, XLogP of 2.82, 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]-2-fluorobenzohydrazide is sourced from PubChem (CID 51161486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).