3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide

C24H23BrN2O4 — CID 17342831

IUPAC3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br
InChIInChI=1S/C24H23BrN2O4/c1-2-14-30-22-13-12-18(15-20(22)25)24(29)27-26-23(28)16-31-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyHSZGWATUVAEIMP-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.74
Rot. Bonds8

About 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide

3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide (PubChem CID 17342831) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
PubChem CID17342831
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br
InChIInChI=1S/C24H23BrN2O4/c1-2-14-30-22-13-12-18(15-20(22)25)24(29)27-26-23(28)16-31-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyHSZGWATUVAEIMP-UHFFFAOYSA-N
XLogP4.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.74
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

3-bromo-4-hexoxy-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4959891
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
3-bromo-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343152
3-bromo-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-4-propoxybenzamide
CID 17343172
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4959610
3-bromo-4-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17339504
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide (CID 17342831) is 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide?
The InChIKey is HSZGWATUVAEIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-2-14-30-22-13-12-18(15-20(22)25)24(29)27-26-23(28)16-31-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide?
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide has a molecular weight of 483.36 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 17342831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).