3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide

C21H26BrN3O4 — CID 25392821

IUPAC3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CNc2c(C)cc(C)cc2C)cc(Br)c1OC
InChIInChI=1S/C21H26BrN3O4/c1-6-29-17-10-15(9-16(22)20(17)28-5)21(27)25-24-18(26)11-23-19-13(3)7-12(2)8-14(19)4/h7-10,23H,6,11H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMGEIHXKYYCRLDT-UHFFFAOYSA-N
MW464.36 g/mol
LogP3.65
Rot. Bonds7

About 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide

3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide (PubChem CID 25392821) has the molecular formula C21H26BrN3O4 and a molecular weight of 464.36 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide
PubChem CID25392821
Molecular FormulaC21H26BrN3O4
Molecular Weight464.36 g/mol
Exact Mass463.11
IUPAC Name3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CNc2c(C)cc(C)cc2C)cc(Br)c1OC
InChIInChI=1S/C21H26BrN3O4/c1-6-29-17-10-15(9-16(22)20(17)28-5)21(27)25-24-18(26)11-23-19-13(3)7-12(2)8-14(19)4/h7-10,23H,6,11H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMGEIHXKYYCRLDT-UHFFFAOYSA-N
XLogP3.65
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
N'-(3-bromo-5-ethoxy-4-methoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 26420177
3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide
CID 9376197
N'-[2-(2,3-dimethylanilino)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 9080904
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010
3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide
CID 3908211
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201813
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide (CID 25392821) is 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide is CCOc1cc(C(=O)NNC(=O)CNc2c(C)cc(C)cc2C)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide?
The InChIKey is MGEIHXKYYCRLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O4/c1-6-29-17-10-15(9-16(22)20(17)28-5)21(27)25-24-18(26)11-23-19-13(3)7-12(2)8-14(19)4/h7-10,23H,6,11H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide?
3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide has a molecular weight of 464.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxy-N'-[2-(2,4,6-trimethylanilino)acetyl]benzohydrazide is sourced from PubChem (CID 25392821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).