N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C20H17ClN2O4 — CID 9219836

IUPACN'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H17ClN2O4/c21-15-8-6-14(7-9-15)12-19(24)22-23-20(25)18-11-10-17(27-18)13-26-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyIYVVFXOLCASMCT-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.52
Rot. Bonds6

About N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9219836) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9219836
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H17ClN2O4/c21-15-8-6-14(7-9-15)12-19(24)22-23-20(25)18-11-10-17(27-18)13-26-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyIYVVFXOLCASMCT-UHFFFAOYSA-N
XLogP3.52
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.52
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'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837720
N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 46656994
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9219836) is N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is IYVVFXOLCASMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-15-8-6-14(7-9-15)12-19(24)22-23-20(25)18-11-10-17(27-18)13-26-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 384.82 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9219836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).