3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide

C25H25BrN2O4 — CID 17351934

IUPAC3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br
InChIInChI=1S/C25H25BrN2O4/c1-17(2)15-31-23-13-12-19(14-21(23)26)24(29)27-28-25(30)20-10-6-7-11-22(20)32-16-18-8-4-3-5-9-18/h3-14,17H,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUICBAZIJMFYGJN-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.14
Rot. Bonds8

About 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide

3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide (PubChem CID 17351934) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
PubChem CID17351934
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC Name3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br
InChIInChI=1S/C25H25BrN2O4/c1-17(2)15-31-23-13-12-19(14-21(23)26)24(29)27-28-25(30)20-10-6-7-11-22(20)32-16-18-8-4-3-5-9-18/h3-14,17H,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUICBAZIJMFYGJN-UHFFFAOYSA-N
XLogP5.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.14
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

2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-bromo-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343234
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923
5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
CID 102166261
3-bromo-N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351938
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide (CID 17351934) is 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
The InChIKey is UICBAZIJMFYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-17(2)15-31-23-13-12-19(14-21(23)26)24(29)27-28-25(30)20-10-6-7-11-22(20)32-16-18-8-4-3-5-9-18/h3-14,17H,15-16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide?
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide has a molecular weight of 497.39 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide is sourced from PubChem (CID 17351934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).