2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide

C18H17Br2ClN2O4 — CID 4944212

IUPAC2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H17Br2ClN2O4/c1-10-7-12(19)8-15(20)17(10)26-9-16(24)22-23-18(25)11(2)27-14-5-3-13(21)4-6-14/h3-8,11H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYQICHDXMPCAWCO-UHFFFAOYSA-N
MW520.61 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide

2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide (PubChem CID 4944212) has the molecular formula C18H17Br2ClN2O4 and a molecular weight of 520.61 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
PubChem CID4944212
Molecular FormulaC18H17Br2ClN2O4
Molecular Weight520.61 g/mol
Exact Mass517.92
IUPAC Name2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H17Br2ClN2O4/c1-10-7-12(19)8-15(20)17(10)26-9-16(24)22-23-18(25)11(2)27-14-5-3-13(21)4-6-14/h3-8,11H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYQICHDXMPCAWCO-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 54.17
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-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4509663
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
2-(4-chlorophenyl)-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937167
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 4938237
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952364
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237851
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide (CID 4944212) is 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide is Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide?
The InChIKey is YQICHDXMPCAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2ClN2O4/c1-10-7-12(19)8-15(20)17(10)26-9-16(24)22-23-18(25)11(2)27-14-5-3-13(21)4-6-14/h3-8,11H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide?
2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide has a molecular weight of 520.61 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 4944212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).