(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide

C12H16FNO2 — CID 94335659

IUPAC(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-8(2)14-12(15)9(3)16-11-6-4-10(13)5-7-11/h4-9H,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyPGXSVFXKEOINNN-SECBINFHSA-N
MW225.26 g/mol
LogP2.12
Rot. Bonds4

About (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide

(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide (PubChem CID 94335659) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
PubChem CID94335659
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-8(2)14-12(15)9(3)16-11-6-4-10(13)5-7-11/h4-9H,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyPGXSVFXKEOINNN-SECBINFHSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide (CID 94335659) is (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is PGXSVFXKEOINNN-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(2)14-12(15)9(3)16-11-6-4-10(13)5-7-11/h4-9H,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide?
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 225.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 94335659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).