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

C21H17BrCl2N2O4 — CID 4729784

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17BrCl2N2O4/c1-29-18-6-2-12-8-13(22)3-5-15(12)16(18)10-20(27)25-26-21(28)11-30-19-7-4-14(23)9-17(19)24/h2-9H,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeyNBJQEUHQEHERRK-UHFFFAOYSA-N
MW512.19 g/mol
LogP4.69
Rot. Bonds6

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

2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide (PubChem CID 4729784) has the molecular formula C21H17BrCl2N2O4 and a molecular weight of 512.19 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
PubChem CID4729784
Molecular FormulaC21H17BrCl2N2O4
Molecular Weight512.19 g/mol
Exact Mass509.97
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17BrCl2N2O4/c1-29-18-6-2-12-8-13(22)3-5-15(12)16(18)10-20(27)25-26-21(28)11-30-19-7-4-14(23)9-17(19)24/h2-9H,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeyNBJQEUHQEHERRK-UHFFFAOYSA-N
XLogP4.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.19
LogP ≤ 54.69
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

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(2,4-dichlorophenyl)acetamide
CID 3380159
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(4-bromo-2-methylphenoxy)-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3491324
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide (CID 4729784) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide is COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide?
The InChIKey is NBJQEUHQEHERRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O4/c1-29-18-6-2-12-8-13(22)3-5-15(12)16(18)10-20(27)25-26-21(28)11-30-19-7-4-14(23)9-17(19)24/h2-9H,10-11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide has a molecular weight of 512.19 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4729784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).