5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide

C23H21BrN2O4 — CID 17046364

IUPAC5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C23H21BrN2O4/c24-18-11-12-21(29-14-13-17-7-3-1-4-8-17)20(15-18)23(28)26-25-22(27)16-30-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,25,27)(H,26,28)
InChIKeyIDFKVKMQJLEQRT-UHFFFAOYSA-N
MW469.34 g/mol
LogP3.91
Rot. Bonds8

About 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide

5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide (PubChem CID 17046364) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
PubChem CID17046364
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C23H21BrN2O4/c24-18-11-12-21(29-14-13-17-7-3-1-4-8-17)20(15-18)23(28)26-25-22(27)16-30-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,25,27)(H,26,28)
InChIKeyIDFKVKMQJLEQRT-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 53.91
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

5-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046823
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
CID 19628301
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide?
The IUPAC name of 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide (CID 17046364) is 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide is O=C(COc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide?
The InChIKey is IDFKVKMQJLEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c24-18-11-12-21(29-14-13-17-7-3-1-4-8-17)20(15-18)23(28)26-25-22(27)16-30-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide?
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide has a molecular weight of 469.34 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17046364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).