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

C22H17BrCl2N2O3 — CID 17096531

IUPACN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17BrCl2N2O3/c23-17-11-16(24)12-18(25)21(17)30-13-19(28)26-27-22(29)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,20H,13H2,(H,26,28)(H,27,29)
InChIKeyWERYHGWSYVOKIC-UHFFFAOYSA-N
MW508.20 g/mol
LogP5.11
Rot. Bonds6

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

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide (PubChem CID 17096531) has the molecular formula C22H17BrCl2N2O3 and a molecular weight of 508.20 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
PubChem CID17096531
Molecular FormulaC22H17BrCl2N2O3
Molecular Weight508.20 g/mol
Exact Mass505.98
IUPAC NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17BrCl2N2O3/c23-17-11-16(24)12-18(25)21(17)30-13-19(28)26-27-22(29)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,20H,13H2,(H,26,28)(H,27,29)
InChIKeyWERYHGWSYVOKIC-UHFFFAOYSA-N
XLogP5.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.20
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 17095318
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
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17096590
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide
CID 17095463
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856918
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 2311623
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide (CID 17096531) is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide is O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide?
The InChIKey is WERYHGWSYVOKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrCl2N2O3/c23-17-11-16(24)12-18(25)21(17)30-13-19(28)26-27-22(29)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,20H,13H2,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide?
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide has a molecular weight of 508.20 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 17096531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).