2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide

C16H13BrF2N2O3 — CID 9160446

IUPAC2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C16H13BrF2N2O3/c1-9(24-12-5-2-10(18)3-6-12)15(22)20-21-16(23)13-8-11(19)4-7-14(13)17/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyITQPGHNMJSDMIT-SECBINFHSA-N
MW399.19 g/mol
LogP2.96
Rot. Bonds4

About 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide

2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 9160446) has the molecular formula C16H13BrF2N2O3 and a molecular weight of 399.19 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID9160446
Molecular FormulaC16H13BrF2N2O3
Molecular Weight399.19 g/mol
Exact Mass398.01
IUPAC Name2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C16H13BrF2N2O3/c1-9(24-12-5-2-10(18)3-6-12)15(22)20-21-16(23)13-8-11(19)4-7-14(13)17/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyITQPGHNMJSDMIT-SECBINFHSA-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'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
3-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 9367206
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46584217
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 9160446) is 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is ITQPGHNMJSDMIT-SECBINFHSA-N. The full InChI is InChI=1S/C16H13BrF2N2O3/c1-9(24-12-5-2-10(18)3-6-12)15(22)20-21-16(23)13-8-11(19)4-7-14(13)17/h2-9H,1H3,(H,20,22)(H,21,23)/t9-/m1/s1.
What are the key properties of 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide 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 2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 9160446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).