3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide

C19H15FN2O4 — CID 18093403

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15FN2O4/c20-17-7-2-1-6-16(17)18-10-8-15(26-18)9-11-19(23)21-13-4-3-5-14(12-13)22(24)25/h1-8,10,12H,9,11H2,(H,21,23)
InChIKeyDRZKVNVSJJAJCN-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.57
Rot. Bonds6

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide (PubChem CID 18093403) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
PubChem CID18093403
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15FN2O4/c20-17-7-2-1-6-16(17)18-10-8-15(26-18)9-11-19(23)21-13-4-3-5-14(12-13)22(24)25/h1-8,10,12H,9,11H2,(H,21,23)
InChIKeyDRZKVNVSJJAJCN-UHFFFAOYSA-N
XLogP4.57
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
CID 26718505
N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 46442616
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-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 24505736
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 24505922
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
CID 16600080
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51241340
11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide
CID 3354332
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 22587363
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide (CID 18093403) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide?
The InChIKey is DRZKVNVSJJAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-17-7-2-1-6-16(17)18-10-8-15(26-18)9-11-19(23)21-13-4-3-5-14(12-13)22(24)25/h1-8,10,12H,9,11H2,(H,21,23).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide has a molecular weight of 354.34 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 18093403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).