N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C21H25BrN2O3 — CID 54782165

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc(C(C)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H25BrN2O3/c1-14(2)12-16-4-6-17(7-5-16)15(3)21(26)24-23-20(25)13-27-19-10-8-18(22)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXFDQQLSMMXHDBD-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.98
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 54782165) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID54782165
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc(C(C)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H25BrN2O3/c1-14(2)12-16-4-6-17(7-5-16)15(3)21(26)24-23-20(25)13-27-19-10-8-18(22)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXFDQQLSMMXHDBD-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
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'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782133
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782220
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782216
4-(2-methylpropoxy)-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782195
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231
N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
CID 54782181
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 7671319

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 54782165) is N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is CC(C)Cc1ccc(C(C)C(=O)NNC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is XFDQQLSMMXHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-14(2)12-16-4-6-17(7-5-16)15(3)21(26)24-23-20(25)13-27-19-10-8-18(22)9-11-19/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 433.35 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 54782165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).