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

C17H16BrN3O6 — CID 4951401

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O6/c1-11(27-15-8-4-13(5-9-15)21(24)25)17(23)20-19-16(22)10-26-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQHYLJFVHYDJMCF-UHFFFAOYSA-N
MW438.23 g/mol
LogP2.35
Rot. Bonds7

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

N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide (PubChem CID 4951401) has the molecular formula C17H16BrN3O6 and a molecular weight of 438.23 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
PubChem CID4951401
Molecular FormulaC17H16BrN3O6
Molecular Weight438.23 g/mol
Exact Mass437.02
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O6/c1-11(27-15-8-4-13(5-9-15)21(24)25)17(23)20-19-16(22)10-26-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQHYLJFVHYDJMCF-UHFFFAOYSA-N
XLogP2.35
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9240937
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
propyl 4-[2-[2-[2-(4-nitrophenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4951438
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951428
N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide
CID 17357947
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 4509204
(2R)-2-(4-bromophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308800
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
1-[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea
CID 8679781
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide (CID 4951401) is N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide?
The InChIKey is QHYLJFVHYDJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O6/c1-11(27-15-8-4-13(5-9-15)21(24)25)17(23)20-19-16(22)10-26-14-6-2-12(18)3-7-14/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide has a molecular weight of 438.23 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 4951401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).