N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide

C19H15FN2O4 — CID 27555711

IUPACN'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C19H15FN2O4/c20-14-6-8-15(9-7-14)25-12-16-10-11-17(26-16)19(24)22-21-18(23)13-4-2-1-3-5-13/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyVTVDJQPXZIRHKD-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.07
Rot. Bonds5

About N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide

N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 27555711) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
PubChem CID27555711
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC NameN'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C19H15FN2O4/c20-14-6-8-15(9-7-14)25-12-16-10-11-17(26-16)19(24)22-21-18(23)13-4-2-1-3-5-13/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyVTVDJQPXZIRHKD-UHFFFAOYSA-N
XLogP3.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.07
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

N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219782
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 8623746

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide (CID 27555711) is N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide is O=C(NNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is VTVDJQPXZIRHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-14-6-8-15(9-7-14)25-12-16-10-11-17(26-16)19(24)22-21-18(23)13-4-2-1-3-5-13/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide?
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 354.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 27555711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).