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

C19H21BrN2O3 — CID 17189717

IUPACN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-13(2)15-9-10-17(16(20)11-15)25-12-18(23)21-22-19(24)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQLYDDNGTZQWMB-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.80
Rot. Bonds6

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

N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 17189717) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID17189717
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-13(2)15-9-10-17(16(20)11-15)25-12-18(23)21-22-19(24)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQLYDDNGTZQWMB-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.80
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]-4-phenylbenzohydrazide
CID 17189667
N-[4-[[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]carbamoyl]phenyl]butanamide
CID 17189704
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
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17189556
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957576
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
propyl 4-[2-[2-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17189749
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230322
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]benzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide (CID 17189717) is N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide is CCC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is GQLYDDNGTZQWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-13(2)15-9-10-17(16(20)11-15)25-12-18(23)21-22-19(24)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide?
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 405.29 g/mol, XLogP of 3.80, 6 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]benzohydrazide is sourced from PubChem (CID 17189717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).