N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C21H19ClN2O4 — CID 31464668

IUPACN'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H19ClN2O4/c22-18-9-5-4-6-15(18)10-13-20(25)23-24-21(26)19-12-11-17(28-19)14-27-16-7-2-1-3-8-16/h1-9,11-12H,10,13-14H2,(H,23,25)(H,24,26)
InChIKeyYKQUBBQATDUZCU-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.91
Rot. Bonds7

About N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 31464668) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID31464668
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC NameN'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H19ClN2O4/c22-18-9-5-4-6-15(18)10-13-20(25)23-24-21(26)19-12-11-17(28-19)14-27-16-7-2-1-3-8-16/h1-9,11-12H,10,13-14H2,(H,23,25)(H,24,26)
InChIKeyYKQUBBQATDUZCU-UHFFFAOYSA-N
XLogP3.91
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.91
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-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
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'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
CID 9219783
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
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-(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

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 31464668) is N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(CCc1ccccc1Cl)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is YKQUBBQATDUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c22-18-9-5-4-6-15(18)10-13-20(25)23-24-21(26)19-12-11-17(28-19)14-27-16-7-2-1-3-8-16/h1-9,11-12H,10,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 398.85 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 31464668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).