N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide

C20H23BrN2O4 — CID 4930160

IUPACN'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)11-26-17-7-4-15(5-8-17)20(25)23-22-19(24)12-27-18-9-6-16(21)10-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVSRSMHSMFUQPRQ-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.63
Rot. Bonds7

About N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 4930160) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID4930160
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)11-26-17-7-4-15(5-8-17)20(25)23-22-19(24)12-27-18-9-6-16(21)10-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVSRSMHSMFUQPRQ-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.63
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'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 1047378
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17343943
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide
CID 4961190
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (CID 4930160) is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is VSRSMHSMFUQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13(2)11-26-17-7-4-15(5-8-17)20(25)23-22-19(24)12-27-18-9-6-16(21)10-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.63, 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-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 4930160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).