N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide

C25H25BrN2O4 — CID 17134530

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C25H25BrN2O4/c1-2-18-11-12-23(22(26)15-18)32-17-24(29)27-28-25(30)20-9-6-10-21(16-20)31-14-13-19-7-4-3-5-8-19/h3-12,15-16H,2,13-14,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyUJJCSDHSNJGKCS-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.47
Rot. Bonds9

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide (PubChem CID 17134530) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
PubChem CID17134530
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C25H25BrN2O4/c1-2-18-11-12-23(22(26)15-18)32-17-24(29)27-28-25(30)20-9-6-10-21(16-20)31-14-13-19-7-4-3-5-8-19/h3-12,15-16H,2,13-14,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyUJJCSDHSNJGKCS-UHFFFAOYSA-N
XLogP4.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.47
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-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134864
N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955443
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134531
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
methyl 3-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175455
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
CID 17139777
N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142873
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide (CID 17134530) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The InChIKey is UJJCSDHSNJGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-2-18-11-12-23(22(26)15-18)32-17-24(29)27-28-25(30)20-9-6-10-21(16-20)31-14-13-19-7-4-3-5-8-19/h3-12,15-16H,2,13-14,17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide has a molecular weight of 497.39 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17134530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).