N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

C20H17BrN2O5 — CID 31836951

IUPACN'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCOc1ccc(Br)c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C20H17BrN2O5/c1-26-14-7-9-17(21)16(11-14)19(24)22-23-20(25)18-10-8-15(28-18)12-27-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyIKWLMHVZDAGQJW-UHFFFAOYSA-N
MW445.27 g/mol
LogP3.70
Rot. Bonds6

About N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 31836951) has the molecular formula C20H17BrN2O5 and a molecular weight of 445.27 g/mol. Its IUPAC name is N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID31836951
Molecular FormulaC20H17BrN2O5
Molecular Weight445.27 g/mol
Exact Mass444.03
IUPAC NameN'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCOc1ccc(Br)c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C20H17BrN2O5/c1-26-14-7-9-17(21)16(11-14)19(24)22-23-20(25)18-10-8-15(28-18)12-27-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyIKWLMHVZDAGQJW-UHFFFAOYSA-N
XLogP3.70
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
CID 2461548
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (CID 31836951) is N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1.
What is the InChIKey of N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is IKWLMHVZDAGQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O5/c1-26-14-7-9-17(21)16(11-14)19(24)22-23-20(25)18-10-8-15(28-18)12-27-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 445.27 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 31836951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).