2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide

C21H15ClFNO4 — CID 165072059

IUPAC2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide
SMILESCc1oc(C(=O)C(=O)Nc2ccccc2)cc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H15ClFNO4/c1-12-15(18(25)10-13-7-8-17(23)16(22)9-13)11-19(28-12)20(26)21(27)24-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeySXUVLEFYZNWUBJ-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.63
Rot. Bonds6

About 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide

2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide (PubChem CID 165072059) has the molecular formula C21H15ClFNO4 and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide
PubChem CID165072059
Molecular FormulaC21H15ClFNO4
Molecular Weight399.81 g/mol
Exact Mass399.07
IUPAC Name2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide
SMILESCc1oc(C(=O)C(=O)Nc2ccccc2)cc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H15ClFNO4/c1-12-15(18(25)10-13-7-8-17(23)16(22)9-13)11-19(28-12)20(26)21(27)24-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeySXUVLEFYZNWUBJ-UHFFFAOYSA-N
XLogP4.63
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide
CID 165014363
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
3-amino-1-(3-chloro-4-fluorophenyl)-4-phenylbutan-2-one
CID 103042497
N-(3-chloro-4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124133
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide (CID 165072059) is 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide is Cc1oc(C(=O)C(=O)Nc2ccccc2)cc1C(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide?
The InChIKey is SXUVLEFYZNWUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFNO4/c1-12-15(18(25)10-13-7-8-17(23)16(22)9-13)11-19(28-12)20(26)21(27)24-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,24,27).
What are the key properties of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide?
2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide has a molecular weight of 399.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 165072059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).