N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide

C20H21BrN2O4 — CID 4929181

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C20H21BrN2O4/c1-4-9-26-17-8-6-5-7-16(17)20(25)23-22-18(24)12-27-19-13(2)10-15(21)11-14(19)3/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyZFHXIILMJICABI-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.47
Rot. Bonds7

About N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide (PubChem CID 4929181) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
PubChem CID4929181
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C20H21BrN2O4/c1-4-9-26-17-8-6-5-7-16(17)20(25)23-22-18(24)12-27-19-13(2)10-15(21)11-14(19)3/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyZFHXIILMJICABI-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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]-2-prop-2-enoxybenzohydrazide
CID 4929141
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4960851
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
N'-(2-naphthalen-2-yloxyacetyl)-2-prop-2-enoxybenzohydrazide
CID 4929060
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
CID 4929104
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide (CID 4929181) is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1C.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
The InChIKey is ZFHXIILMJICABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-4-9-26-17-8-6-5-7-16(17)20(25)23-22-18(24)12-27-19-13(2)10-15(21)11-14(19)3/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide has a molecular weight of 433.30 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4929181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).