N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide

C10H17FN2O3 — CID 149319618

IUPACN-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)N(C(C)F)C1CCOCC1
InChIInChI=1S/C10H17FN2O3/c1-7(11)13(10(15)12-8(2)14)9-3-5-16-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyYAEZLDFQEGECHR-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.04
Rot. Bonds2

About N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide

N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide (PubChem CID 149319618) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide
PubChem CID149319618
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)N(C(C)F)C1CCOCC1
InChIInChI=1S/C10H17FN2O3/c1-7(11)13(10(15)12-8(2)14)9-3-5-16-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,14,15)
InChIKeyYAEZLDFQEGECHR-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide?
The IUPAC name of N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide (CID 149319618) is N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide.
What is the SMILES notation for N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide?
The canonical SMILES for N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide is CC(=O)NC(=O)N(C(C)F)C1CCOCC1.
What is the InChIKey of N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide?
The InChIKey is YAEZLDFQEGECHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3/c1-7(11)13(10(15)12-8(2)14)9-3-5-16-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,14,15).
What are the key properties of N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide?
N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide has a molecular weight of 232.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide is sourced from PubChem (CID 149319618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).