N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide

C24H25FN2O6 — CID 46656743

IUPACN'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C24H25FN2O6/c1-3-4-13-31-20-11-5-16(14-22(20)30-2)23(28)26-27-24(29)21-12-10-19(33-21)15-32-18-8-6-17(25)7-9-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyHHSMWHXBKUCOCZ-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.26
Rot. Bonds10

About N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 46656743) has the molecular formula C24H25FN2O6 and a molecular weight of 456.47 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
PubChem CID46656743
Molecular FormulaC24H25FN2O6
Molecular Weight456.47 g/mol
Exact Mass456.17
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C24H25FN2O6/c1-3-4-13-31-20-11-5-16(14-22(20)30-2)23(28)26-27-24(29)21-12-10-19(33-21)15-32-18-8-6-17(25)7-9-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyHHSMWHXBKUCOCZ-UHFFFAOYSA-N
XLogP4.26
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9090497
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide (CID 46656743) is N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is HHSMWHXBKUCOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O6/c1-3-4-13-31-20-11-5-16(14-22(20)30-2)23(28)26-27-24(29)21-12-10-19(33-21)15-32-18-8-6-17(25)7-9-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 456.47 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 46656743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).