3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide

C17H17BrN2O4 — CID 4948726

IUPAC3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O4/c1-3-24-13-7-4-11(5-8-13)16(21)19-20-17(22)12-6-9-15(23-2)14(18)10-12/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNBTXTLUVCJSXQG-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.93
Rot. Bonds5

About 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide

3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide (PubChem CID 4948726) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
PubChem CID4948726
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O4/c1-3-24-13-7-4-11(5-8-13)16(21)19-20-17(22)12-6-9-15(23-2)14(18)10-12/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNBTXTLUVCJSXQG-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.93
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

4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5118738
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-heptoxybenzamide
CID 4951077
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 5119214
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide (CID 4948726) is 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide?
The InChIKey is NBTXTLUVCJSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-3-24-13-7-4-11(5-8-13)16(21)19-20-17(22)12-6-9-15(23-2)14(18)10-12/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide?
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide is sourced from PubChem (CID 4948726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).