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

C21H25BrN2O4 — CID 17051675

IUPAC5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C21H25BrN2O4/c1-13(2)16-7-5-6-8-18(16)27-12-20(25)23-24-21(26)17-11-15(22)9-10-19(17)28-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLKHRKYPNQFEITM-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.20
Rot. Bonds7

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

5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 17051675) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID17051675
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C21H25BrN2O4/c1-13(2)16-7-5-6-8-18(16)27-12-20(25)23-24-21(26)17-11-15(22)9-10-19(17)28-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLKHRKYPNQFEITM-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.20
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-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
CID 17140952
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17094394
5-bromo-2-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854378
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
CID 17189044
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051761
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 17051675) is 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide is CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is LKHRKYPNQFEITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-13(2)16-7-5-6-8-18(16)27-12-20(25)23-24-21(26)17-11-15(22)9-10-19(17)28-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 449.35 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17051675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).