N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide

C8H10FN3O3 — CID 90071747

IUPACN-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide
SMILESO=C(Cn1cccc1[N+](=O)[O-])NCCF
InChIInChI=1S/C8H10FN3O3/c9-3-4-10-7(13)6-11-5-1-2-8(11)12(14)15/h1-2,5H,3-4,6H2,(H,10,13)
InChIKeyWYMGRXDRUXKQSO-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.48
Rot. Bonds5

About N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide

N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide (PubChem CID 90071747) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide
PubChem CID90071747
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC NameN-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide
SMILESO=C(Cn1cccc1[N+](=O)[O-])NCCF
InChIInChI=1S/C8H10FN3O3/c9-3-4-10-7(13)6-11-5-1-2-8(11)12(14)15/h1-2,5H,3-4,6H2,(H,10,13)
InChIKeyWYMGRXDRUXKQSO-UHFFFAOYSA-N
XLogP0.48
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide?
The IUPAC name of N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide (CID 90071747) is N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide?
The canonical SMILES for N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide is O=C(Cn1cccc1[N+](=O)[O-])NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide?
The InChIKey is WYMGRXDRUXKQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-3-4-10-7(13)6-11-5-1-2-8(11)12(14)15/h1-2,5H,3-4,6H2,(H,10,13).
What are the key properties of N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide?
N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide has a molecular weight of 215.18 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(2-nitropyrrol-1-yl)acetamide is sourced from PubChem (CID 90071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).