N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide

C20H23BrN2O4 — CID 17141421

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
SMILESCCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C20H23BrN2O4/c1-4-14(3)27-16-7-5-15(6-8-16)20(25)23-22-19(24)12-26-17-9-10-18(21)13(2)11-17/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySAQCEWQLBQPLBZ-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.77
Rot. Bonds7

About N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide (PubChem CID 17141421) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
PubChem CID17141421
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
SMILESCCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C20H23BrN2O4/c1-4-14(3)27-16-7-5-15(6-8-16)20(25)23-22-19(24)12-26-17-9-10-18(21)13(2)11-17/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySAQCEWQLBQPLBZ-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.77
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

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141442
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide (CID 17141421) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide is CCC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide?
The InChIKey is SAQCEWQLBQPLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-14(3)27-16-7-5-15(6-8-16)20(25)23-22-19(24)12-26-17-9-10-18(21)13(2)11-17/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.77, 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-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide is sourced from PubChem (CID 17141421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).