5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide

C20H23BrN2O3 — CID 17350208

IUPAC5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-2-3-13-26-18-11-10-16(21)14-17(18)20(25)23-22-19(24)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyDTLOFIXKXPBELI-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.02
Rot. Bonds8

About 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide

5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 17350208) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID17350208
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-2-3-13-26-18-11-10-16(21)14-17(18)20(25)23-22-19(24)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyDTLOFIXKXPBELI-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.02
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

5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17350268
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide (CID 17350208) is 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is DTLOFIXKXPBELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-2-3-13-26-18-11-10-16(21)14-17(18)20(25)23-22-19(24)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide?
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 419.32 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 17350208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).