2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C12H16FNO2 — CID 81349816

IUPAC2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCOCC(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-16-8-12(15)14-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQOSFDSQWVNNXGP-SECBINFHSA-N
MW225.26 g/mol
LogP2.04
Rot. Bonds5

About 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 81349816) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID81349816
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCOCC(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-16-8-12(15)14-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQOSFDSQWVNNXGP-SECBINFHSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 81349816) is 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is CCOCC(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is QOSFDSQWVNNXGP-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-16-8-12(15)14-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 225.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 81349816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).