5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide

C20H23BrN2O5 — CID 17357343

IUPAC5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C20H23BrN2O5/c1-13-5-4-6-14(2)19(13)28-12-18(24)22-23-20(25)16-11-15(21)7-8-17(16)27-10-9-26-3/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHMCXXAJBMRGRKE-UHFFFAOYSA-N
MW451.32 g/mol
LogP2.93
Rot. Bonds8

About 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide

5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide (PubChem CID 17357343) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
PubChem CID17357343
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C20H23BrN2O5/c1-13-5-4-6-14(2)19(13)28-12-18(24)22-23-20(25)16-11-15(21)7-8-17(16)27-10-9-26-3/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHMCXXAJBMRGRKE-UHFFFAOYSA-N
XLogP2.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 52.93
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

5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351158
5-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357747
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
5-bromo-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357717
5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
CID 17350895
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide (CID 17357343) is 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide is COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cccc1C.
What is the InChIKey of 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide?
The InChIKey is HMCXXAJBMRGRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-13-5-4-6-14(2)19(13)28-12-18(24)22-23-20(25)16-11-15(21)7-8-17(16)27-10-9-26-3/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide?
5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide has a molecular weight of 451.32 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17357343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).