N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide

C20H23BrN2O5 — CID 17112781

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C20H23BrN2O5/c1-3-26-10-11-27-16-6-4-15(5-7-16)20(25)23-22-19(24)13-28-17-8-9-18(21)14(2)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPAJOMSGVLVXPPF-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.01
Rot. Bonds9

About N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide (PubChem CID 17112781) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
PubChem CID17112781
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C20H23BrN2O5/c1-3-26-10-11-27-16-6-4-15(5-7-16)20(25)23-22-19(24)13-28-17-8-9-18(21)14(2)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPAJOMSGVLVXPPF-UHFFFAOYSA-N
XLogP3.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122878
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041
N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide
CID 4936011
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353571
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17113048

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide (CID 17112781) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide is CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
The InChIKey is PAJOMSGVLVXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-3-26-10-11-27-16-6-4-15(5-7-16)20(25)23-22-19(24)13-28-17-8-9-18(21)14(2)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide has a molecular weight of 451.32 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide is sourced from PubChem (CID 17112781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).