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

C17H16BrFN2O4 — CID 7964947

IUPAC(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O4/c1-11(25-15-8-4-13(19)5-9-15)17(23)21-20-16(22)10-24-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyMMTRTBHAEQIANN-LLVKDONJSA-N
MW411.23 g/mol
LogP2.58
Rot. Bonds6

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

(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 7964947) has the molecular formula C17H16BrFN2O4 and a molecular weight of 411.23 g/mol. Its IUPAC name is (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID7964947
Molecular FormulaC17H16BrFN2O4
Molecular Weight411.23 g/mol
Exact Mass410.03
IUPAC Name(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O4/c1-11(25-15-8-4-13(19)5-9-15)17(23)21-20-16(22)10-24-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyMMTRTBHAEQIANN-LLVKDONJSA-N
XLogP2.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951401
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-cyanophenoxy)propanehydrazide
CID 4855794
1-[[(2R)-2-(4-bromophenoxy)propanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469334
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide (CID 7964947) is (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is MMTRTBHAEQIANN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16BrFN2O4/c1-11(25-15-8-4-13(19)5-9-15)17(23)21-20-16(22)10-24-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide?
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 411.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 7964947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).