N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide

C22H20F2N2O3 — CID 27794966

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H20F2N2O3/c1-26(14-21(27)25-16-6-4-5-15(23)13-16)22(28)12-10-17-9-11-20(29-17)18-7-2-3-8-19(18)24/h2-9,11,13H,10,12,14H2,1H3,(H,25,27)
InChIKeyDUKQYZJCWPECOP-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide (PubChem CID 27794966) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
PubChem CID27794966
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H20F2N2O3/c1-26(14-21(27)25-16-6-4-5-15(23)13-16)22(28)12-10-17-9-11-20(29-17)18-7-2-3-8-19(18)24/h2-9,11,13H,10,12,14H2,1H3,(H,25,27)
InChIKeyDUKQYZJCWPECOP-UHFFFAOYSA-N
XLogP4.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 27801052
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 22587363
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 24983190
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 17430904
N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 46442616
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9090477
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide (CID 27794966) is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
The InChIKey is DUKQYZJCWPECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-26(14-21(27)25-16-6-4-5-15(23)13-16)22(28)12-10-17-9-11-20(29-17)18-7-2-3-8-19(18)24/h2-9,11,13H,10,12,14H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide has a molecular weight of 398.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 27794966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).