4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide

C20H23BrN2O3 — CID 18272580

IUPAC4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
SMILESCC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H23BrN2O3/c1-20(2,3)15-6-10-17(11-7-15)26-13-12-18(24)22-23-19(25)14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDVKBIQUNAMDHBU-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.98
Rot. Bonds5

About 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide

4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide (PubChem CID 18272580) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
PubChem CID18272580
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
SMILESCC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H23BrN2O3/c1-20(2,3)15-6-10-17(11-7-15)26-13-12-18(24)22-23-19(25)14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDVKBIQUNAMDHBU-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17112795
4-bromo-N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421381
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide (CID 18272580) is 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide is CC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
The InChIKey is DVKBIQUNAMDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-20(2,3)15-6-10-17(11-7-15)26-13-12-18(24)22-23-19(25)14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide has a molecular weight of 419.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 18272580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).