N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide

C22H27BrN2O4 — CID 4961190

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H27BrN2O4/c1-13(2)12-28-19-8-6-17(7-9-19)22(27)25-24-21(26)16(5)29-20-14(3)10-18(23)11-15(20)4/h6-11,13,16H,12H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMTUYRJSWHMCFPB-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.33
Rot. Bonds7

About N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide

N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 4961190) has the molecular formula C22H27BrN2O4 and a molecular weight of 463.37 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID4961190
Molecular FormulaC22H27BrN2O4
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H27BrN2O4/c1-13(2)12-28-19-8-6-17(7-9-19)22(27)25-24-21(26)16(5)29-20-14(3)10-18(23)11-15(20)4/h6-11,13,16H,12H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyMTUYRJSWHMCFPB-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.33
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-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
propyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4961187
(2,4-dibromo-6-methylphenyl) 4-(2-methylpropoxy)benzoate
CID 23011591
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4961122
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4961119
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206169
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide (CID 4961190) is N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide is Cc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is MTUYRJSWHMCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4/c1-13(2)12-28-19-8-6-17(7-9-19)22(27)25-24-21(26)16(5)29-20-14(3)10-18(23)11-15(20)4/h6-11,13,16H,12H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 463.37 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 4961190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).