(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide

C17H16BrFN2O3 — CID 9368009

IUPAC(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O3/c1-11(24-15-8-6-14(19)7-9-15)17(23)21-20-16(22)10-12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyXNQKGZGCFNTANU-LLVKDONJSA-N
MW395.23 g/mol
LogP2.75
Rot. Bonds5

About (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide

(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9368009) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9368009
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O3/c1-11(24-15-8-6-14(19)7-9-15)17(23)21-20-16(22)10-12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyXNQKGZGCFNTANU-LLVKDONJSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.75
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

2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55857189
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
1-[[(2R)-2-(4-bromophenoxy)propanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469334
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9368009) is (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is XNQKGZGCFNTANU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-11(24-15-8-6-14(19)7-9-15)17(23)21-20-16(22)10-12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 395.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9368009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).