N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide

C18H16BrCl3N2O4 — CID 5229244

IUPACN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C18H16BrCl3N2O4/c19-13-8-11(20)3-5-15(13)28-10-18(26)24-23-17(25)2-1-7-27-16-6-4-12(21)9-14(16)22/h3-6,8-9H,1-2,7,10H2,(H,23,25)(H,24,26)
InChIKeyFQTKBGLIRGDIHX-UHFFFAOYSA-N
MW510.60 g/mol
LogP4.79
Rot. Bonds8

About N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide (PubChem CID 5229244) has the molecular formula C18H16BrCl3N2O4 and a molecular weight of 510.60 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
PubChem CID5229244
Molecular FormulaC18H16BrCl3N2O4
Molecular Weight510.60 g/mol
Exact Mass507.94
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C18H16BrCl3N2O4/c19-13-8-11(20)3-5-15(13)28-10-18(26)24-23-17(25)2-1-7-27-16-6-4-12(21)9-14(16)22/h3-6,8-9H,1-2,7,10H2,(H,23,25)(H,24,26)
InChIKeyFQTKBGLIRGDIHX-UHFFFAOYSA-N
XLogP4.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
2-(4-bromo-2-methylphenoxy)-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]acetamide
CID 3494955
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide (CID 5229244) is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
The InChIKey is FQTKBGLIRGDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrCl3N2O4/c19-13-8-11(20)3-5-15(13)28-10-18(26)24-23-17(25)2-1-7-27-16-6-4-12(21)9-14(16)22/h3-6,8-9H,1-2,7,10H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide has a molecular weight of 510.60 g/mol, XLogP of 4.79, 8 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-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide is sourced from PubChem (CID 5229244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).