3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide

C18H19BrN2O5 — CID 17356623

IUPAC3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cc1Br
InChIInChI=1S/C18H19BrN2O5/c1-24-9-10-26-16-8-5-13(11-15(16)19)18(23)21-20-17(22)12-3-6-14(25-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVATFGPHCZJDAFU-UHFFFAOYSA-N
MW423.26 g/mol
LogP2.56
Rot. Bonds7

About 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide

3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide (PubChem CID 17356623) has the molecular formula C18H19BrN2O5 and a molecular weight of 423.26 g/mol. Its IUPAC name is 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
PubChem CID17356623
Molecular FormulaC18H19BrN2O5
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cc1Br
InChIInChI=1S/C18H19BrN2O5/c1-24-9-10-26-16-8-5-13(11-15(16)19)18(23)21-20-17(22)12-3-6-14(25-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVATFGPHCZJDAFU-UHFFFAOYSA-N
XLogP2.56
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17356679
methyl N-[(3-bromo-4-butoxybenzoyl)amino]carbamate
CID 4955902
3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17357979
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
3-bromo-4-(2-methoxyethoxy)-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17356663
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
CID 17342923
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17356671
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
3-bromo-N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide (CID 17356623) is 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide is COCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cc1Br.
What is the InChIKey of 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
The InChIKey is VATFGPHCZJDAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5/c1-24-9-10-26-16-8-5-13(11-15(16)19)18(23)21-20-17(22)12-3-6-14(25-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide has a molecular weight of 423.26 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17356623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).