N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide

C25H25BrN2O3 — CID 17189667

IUPACN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C25H25BrN2O3/c1-3-17(2)21-13-14-23(22(26)15-21)31-16-24(29)27-28-25(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIIURQXZRZFHQDV-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.47
Rot. Bonds7

About N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide

N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide (PubChem CID 17189667) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
PubChem CID17189667
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC NameN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C25H25BrN2O3/c1-3-17(2)21-13-14-23(22(26)15-21)31-16-24(29)27-28-25(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIIURQXZRZFHQDV-UHFFFAOYSA-N
XLogP5.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.47
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-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
N-[4-[[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]carbamoyl]phenyl]butanamide
CID 17189704
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
(2-bromo-4-butan-2-ylphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 17187839
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 17189754
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4960799
propyl 4-[2-[2-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17189749
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide (CID 17189667) is N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide is CCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
The InChIKey is IIURQXZRZFHQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-3-17(2)21-13-14-23(22(26)15-21)31-16-24(29)27-28-25(30)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide?
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide has a molecular weight of 481.39 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 17189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).