2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide

C12H16FNO2 — CID 2915718

IUPAC2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(8-16-2)14-12(15)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeySQPNZKVWSMZYHW-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.52
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide

2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 2915718) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID2915718
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(8-16-2)14-12(15)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeySQPNZKVWSMZYHW-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide (CID 2915718) is 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is SQPNZKVWSMZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(8-16-2)14-12(15)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 225.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 2915718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).