2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide

C14H18FNO3 — CID 112699627

IUPAC2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H18FNO3/c1-4-7-16-14(18)10(3)19-13-6-5-11(9(2)17)8-12(13)15/h5-6,8,10H,4,7H2,1-3H3,(H,16,18)
InChIKeyPJZPIANHEWOZGF-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide

2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide (PubChem CID 112699627) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
PubChem CID112699627
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H18FNO3/c1-4-7-16-14(18)10(3)19-13-6-5-11(9(2)17)8-12(13)15/h5-6,8,10H,4,7H2,1-3H3,(H,16,18)
InChIKeyPJZPIANHEWOZGF-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
CID 115679511
1-(3-fluoro-4-pentan-2-yloxyphenyl)ethanone
CID 21105303
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
1-[3-fluoro-4-(4-methoxybutan-2-yloxy)phenyl]ethanone
CID 115687961
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
3-nitro-4-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid
CID 43216807
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
CID 61388884

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide (CID 112699627) is 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(C(C)=O)cc1F.
What is the InChIKey of 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide?
The InChIKey is PJZPIANHEWOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-7-16-14(18)10(3)19-13-6-5-11(9(2)17)8-12(13)15/h5-6,8,10H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide?
2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide has a molecular weight of 267.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide is sourced from PubChem (CID 112699627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).