N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide

C20H14Br2Cl2N2O4 — CID 17096541

IUPACN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C20H14Br2Cl2N2O4/c21-14-7-12(23)8-15(24)20(14)30-10-18(28)26-25-17(27)9-29-16-6-5-11-3-1-2-4-13(11)19(16)22/h1-8H,9-10H2,(H,25,27)(H,26,28)
InChIKeyJJQNGOAADJZKJS-UHFFFAOYSA-N
MW577.06 g/mol
LogP5.28
Rot. Bonds6

About N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide (PubChem CID 17096541) has the molecular formula C20H14Br2Cl2N2O4 and a molecular weight of 577.06 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
PubChem CID17096541
Molecular FormulaC20H14Br2Cl2N2O4
Molecular Weight577.06 g/mol
Exact Mass573.87
IUPAC NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C20H14Br2Cl2N2O4/c21-14-7-12(23)8-15(24)20(14)30-10-18(28)26-25-17(27)9-29-16-6-5-11-3-1-2-4-13(11)19(16)22/h1-8H,9-10H2,(H,25,27)(H,26,28)
InChIKeyJJQNGOAADJZKJS-UHFFFAOYSA-N
XLogP5.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.06
LogP ≤ 55.28
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

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3292496
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-chlorobenzamide
CID 3547891
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide (CID 17096541) is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide is O=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The InChIKey is JJQNGOAADJZKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2Cl2N2O4/c21-14-7-12(23)8-15(24)20(14)30-10-18(28)26-25-17(27)9-29-16-6-5-11-3-1-2-4-13(11)19(16)22/h1-8H,9-10H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide has a molecular weight of 577.06 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide is sourced from PubChem (CID 17096541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).