3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide

C21H25BrN2O3 — CID 4959610

IUPAC3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1Br
InChIInChI=1S/C21H25BrN2O3/c1-2-3-4-8-13-27-19-12-11-17(15-18(19)22)21(26)24-23-20(25)14-16-9-6-5-7-10-16/h5-7,9-12,15H,2-4,8,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyYRJVTVHIRLMYOX-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.41
Rot. Bonds9

About 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide

3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 4959610) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
PubChem CID4959610
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1Br
InChIInChI=1S/C21H25BrN2O3/c1-2-3-4-8-13-27-19-12-11-17(15-18(19)22)21(26)24-23-20(25)14-16-9-6-5-7-10-16/h5-7,9-12,15H,2-4,8,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyYRJVTVHIRLMYOX-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide
CID 17140929
3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4959970
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
3-bromo-4-butoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235626
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
methyl N-[(3-bromo-4-butoxybenzoyl)amino]carbamate
CID 4955902
4-[2-(3-bromo-4-butoxybenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 4955915
3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
3-bromo-4-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4959904

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide (CID 4959610) is 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is YRJVTVHIRLMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-2-3-4-8-13-27-19-12-11-17(15-18(19)22)21(26)24-23-20(25)14-16-9-6-5-7-10-16/h5-7,9-12,15H,2-4,8,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide?
3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 433.35 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 4959610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).