N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide

C24H24Br2N2O4 — CID 3292496

IUPACN'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C(C)C)cc1Br
InChIInChI=1S/C24H24Br2N2O4/c1-14(2)18-11-19(25)15(3)10-21(18)32-13-23(30)28-27-22(29)12-31-20-9-8-16-6-4-5-7-17(16)24(20)26/h4-11,14H,12-13H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyKRFOACBGBYSDTI-UHFFFAOYSA-N
MW564.27 g/mol
LogP5.40
Rot. Bonds7

About N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide

N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide (PubChem CID 3292496) has the molecular formula C24H24Br2N2O4 and a molecular weight of 564.27 g/mol. Its IUPAC name is N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
PubChem CID3292496
Molecular FormulaC24H24Br2N2O4
Molecular Weight564.27 g/mol
Exact Mass562.01
IUPAC NameN'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C(C)C)cc1Br
InChIInChI=1S/C24H24Br2N2O4/c1-14(2)18-11-19(25)15(3)10-21(18)32-13-23(30)28-27-22(29)12-31-20-9-8-16-6-4-5-7-17(16)24(20)26/h4-11,14H,12-13H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyKRFOACBGBYSDTI-UHFFFAOYSA-N
XLogP5.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.27
LogP ≤ 55.40
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

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
CID 19190225
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 5181717
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5179070
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The IUPAC name of N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide (CID 3292496) is N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide is Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C(C)C)cc1Br.
What is the InChIKey of N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The InChIKey is KRFOACBGBYSDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N2O4/c1-14(2)18-11-19(25)15(3)10-21(18)32-13-23(30)28-27-22(29)12-31-20-9-8-16-6-4-5-7-17(16)24(20)26/h4-11,14H,12-13H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide has a molecular weight of 564.27 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide is sourced from PubChem (CID 3292496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).