N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

C20H18N2O4 — CID 7979169

IUPACN'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O4/c1-14-7-9-15(10-8-14)19(23)21-22-20(24)18-12-11-17(26-18)13-25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCMJNXZNTWVFIKQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.24
Rot. Bonds5

About N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 7979169) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID7979169
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O4/c1-14-7-9-15(10-8-14)19(23)21-22-20(24)18-12-11-17(26-18)13-25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCMJNXZNTWVFIKQ-UHFFFAOYSA-N
XLogP3.24
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.24
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-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 8623746
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (CID 7979169) is N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is CMJNXZNTWVFIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-14-7-9-15(10-8-14)19(23)21-22-20(24)18-12-11-17(26-18)13-25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 350.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 7979169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).