5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

C23H23BrN2O3 — CID 17350268

IUPAC5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H23BrN2O3/c1-2-3-13-29-21-12-11-18(24)15-20(21)23(28)26-25-22(27)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-12,15H,2-3,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyXDLMMZJLTGZSHV-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.78
Rot. Bonds7

About 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (PubChem CID 17350268) has the molecular formula C23H23BrN2O3 and a molecular weight of 455.35 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
PubChem CID17350268
Molecular FormulaC23H23BrN2O3
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H23BrN2O3/c1-2-3-13-29-21-12-11-18(24)15-20(21)23(28)26-25-22(27)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-12,15H,2-3,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyXDLMMZJLTGZSHV-UHFFFAOYSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.78
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'}

Analyze 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17353072
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
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-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
N-[(5-bromo-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3630225
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
CID 17343536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The IUPAC name of 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (CID 17350268) is 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The InChIKey is XDLMMZJLTGZSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3/c1-2-3-13-29-21-12-11-18(24)15-20(21)23(28)26-25-22(27)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-12,15H,2-3,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide has a molecular weight of 455.35 g/mol, XLogP of 4.78, 7 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'-(2-naphthalen-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 17350268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).