N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide

C20H14F4N2O4 — CID 26847933

IUPACN'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H14F4N2O4/c21-14-6-1-2-7-16(14)29-11-18(27)25-26-19(28)17-9-8-15(30-17)12-4-3-5-13(10-12)20(22,23)24/h1-10H,11H2,(H,25,27)(H,26,28)
InChIKeyKNDUMFBNEILVSZ-UHFFFAOYSA-N
MW422.33 g/mol
LogP3.94
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide (PubChem CID 26847933) has the molecular formula C20H14F4N2O4 and a molecular weight of 422.33 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
PubChem CID26847933
Molecular FormulaC20H14F4N2O4
Molecular Weight422.33 g/mol
Exact Mass422.09
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H14F4N2O4/c21-14-6-1-2-7-16(14)29-11-18(27)25-26-19(28)17-9-8-15(30-17)12-4-3-5-13(10-12)20(22,23)24/h1-10H,11H2,(H,25,27)(H,26,28)
InChIKeyKNDUMFBNEILVSZ-UHFFFAOYSA-N
XLogP3.94
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 53.94
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'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871805
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
1-(2-methylphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871693
[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 2661393
2-(2-chlorophenoxy)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 6894973
2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 50929981
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755156

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide (CID 26847933) is N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
The InChIKey is KNDUMFBNEILVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O4/c21-14-6-1-2-7-16(14)29-11-18(27)25-26-19(28)17-9-8-15(30-17)12-4-3-5-13(10-12)20(22,23)24/h1-10H,11H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide has a molecular weight of 422.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide is sourced from PubChem (CID 26847933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).