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

C16H13BrCl2N2O4 — CID 17095463

IUPACN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C16H13BrCl2N2O4/c1-24-11-4-2-9(3-5-11)16(23)21-20-14(22)8-25-15-12(17)6-10(18)7-13(15)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyGRUNVWUFPQQVNA-UHFFFAOYSA-N
MW448.10 g/mol
LogP3.60
Rot. Bonds5

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

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide (PubChem CID 17095463) has the molecular formula C16H13BrCl2N2O4 and a molecular weight of 448.10 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide
PubChem CID17095463
Molecular FormulaC16H13BrCl2N2O4
Molecular Weight448.10 g/mol
Exact Mass445.94
IUPAC NameN'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1
InChIInChI=1S/C16H13BrCl2N2O4/c1-24-11-4-2-9(3-5-11)16(23)21-20-14(22)8-25-15-12(17)6-10(18)7-13(15)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyGRUNVWUFPQQVNA-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.10
LogP ≤ 53.60
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-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17096590
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17096567
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide (CID 17095463) is N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1.
What is the InChIKey of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide?
The InChIKey is GRUNVWUFPQQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O4/c1-24-11-4-2-9(3-5-11)16(23)21-20-14(22)8-25-15-12(17)6-10(18)7-13(15)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide?
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide has a molecular weight of 448.10 g/mol, XLogP of 3.60, 5 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-methoxybenzohydrazide is sourced from PubChem (CID 17095463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).