N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide

C18H15BrCl4N2O4 — CID 17096549

IUPACN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C18H15BrCl4N2O4/c19-12-6-11(21)8-14(23)18(12)29-9-17(27)25-24-16(26)2-1-5-28-15-4-3-10(20)7-13(15)22/h3-4,6-8H,1-2,5,9H2,(H,24,26)(H,25,27)
InChIKeyHBCWWKYUVRFIEO-UHFFFAOYSA-N
MW545.04 g/mol
LogP5.45
Rot. Bonds8

About N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide (PubChem CID 17096549) has the molecular formula C18H15BrCl4N2O4 and a molecular weight of 545.04 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
PubChem CID17096549
Molecular FormulaC18H15BrCl4N2O4
Molecular Weight545.04 g/mol
Exact Mass541.90
IUPAC NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C18H15BrCl4N2O4/c19-12-6-11(21)8-14(23)18(12)29-9-17(27)25-24-16(26)2-1-5-28-15-4-3-10(20)7-13(15)22/h3-4,6-8H,1-2,5,9H2,(H,24,26)(H,25,27)
InChIKeyHBCWWKYUVRFIEO-UHFFFAOYSA-N
XLogP5.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.04
LogP ≤ 55.45
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-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 24538199
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
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]-4-(2,4-dichlorophenoxy)butanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide (CID 17096549) is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
The InChIKey is HBCWWKYUVRFIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl4N2O4/c19-12-6-11(21)8-14(23)18(12)29-9-17(27)25-24-16(26)2-1-5-28-15-4-3-10(20)7-13(15)22/h3-4,6-8H,1-2,5,9H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide?
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide has a molecular weight of 545.04 g/mol, XLogP of 5.45, 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-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide is sourced from PubChem (CID 17096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).