N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide

C22H20FN3O4 — CID 46442616

IUPACN-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1
InChIInChI=1S/C22H20FN3O4/c23-18-7-2-1-6-17(18)19-10-8-16(30-19)9-11-21(28)26-15-5-3-4-14(12-15)22(29)25-13-20(24)27/h1-8,10,12H,9,11,13H2,(H2,24,27)(H,25,29)(H,26,28)
InChIKeyWAURPWXMLPXREG-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.87
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide

N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide (PubChem CID 46442616) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
PubChem CID46442616
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC NameN-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1
InChIInChI=1S/C22H20FN3O4/c23-18-7-2-1-6-17(18)19-10-8-16(30-19)9-11-21(28)26-15-5-3-4-14(12-15)22(29)25-13-20(24)27/h1-8,10,12H,9,11,13H2,(H2,24,27)(H,25,29)(H,26,28)
InChIKeyWAURPWXMLPXREG-UHFFFAOYSA-N
XLogP2.87
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
CID 26718505
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767382
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 24505922
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 55526476
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51241340
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 24505736
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide (CID 46442616) is N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide is NC(=O)CNC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
The InChIKey is WAURPWXMLPXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c23-18-7-2-1-6-17(18)19-10-8-16(30-19)9-11-21(28)26-15-5-3-4-14(12-15)22(29)25-13-20(24)27/h1-8,10,12H,9,11,13H2,(H2,24,27)(H,25,29)(H,26,28).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide has a molecular weight of 409.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 46442616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).