N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide

C16H14BrFN2O3 — CID 9401790

IUPACN'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H14BrFN2O3/c1-10(23-12-8-6-11(17)7-9-12)15(21)19-20-16(22)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyZGMQXCHDJMBQLX-JTQLQIEISA-N
MW381.20 g/mol
LogP2.82
Rot. Bonds4

About N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide

N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide (PubChem CID 9401790) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
PubChem CID9401790
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC NameN'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H14BrFN2O3/c1-10(23-12-8-6-11(17)7-9-12)15(21)19-20-16(22)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyZGMQXCHDJMBQLX-JTQLQIEISA-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'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide
CID 97300264
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
CID 41259338
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17353100

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide (CID 9401790) is N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide is C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is ZGMQXCHDJMBQLX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-10(23-12-8-6-11(17)7-9-12)15(21)19-20-16(22)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide?
N'-[(2S)-2-(4-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'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 9401790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).