5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide

C20H23BrN2O4 — CID 17094394

IUPAC5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C20H23BrN2O4/c1-12(2)15-7-5-13(3)9-18(15)27-11-19(24)22-23-20(25)16-10-14(21)6-8-17(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJPGBBEVYQFBXGR-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.73
Rot. Bonds6

About 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide

5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 17094394) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID17094394
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C20H23BrN2O4/c1-12(2)15-7-5-13(3)9-18(15)27-11-19(24)22-23-20(25)16-10-14(21)6-8-17(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJPGBBEVYQFBXGR-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.73
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-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 55317018
5-bromo-2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854469
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
2,6-difluoro-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 36816947
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17189073
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 17094394) is 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide is COc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is JPGBBEVYQFBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-12(2)15-7-5-13(3)9-18(15)27-11-19(24)22-23-20(25)16-10-14(21)6-8-17(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide?
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17094394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).