2-(4-fluorophenoxy)-N-propylpropanamide

C12H16FNO2 — CID 21366860

IUPAC2-(4-fluorophenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-8-14-12(15)9(2)16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeySQKISZUKRJFFTG-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.12
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-propylpropanamide (PubChem CID 21366860) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-propylpropanamide
PubChem CID21366860
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(4-fluorophenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-8-14-12(15)9(2)16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeySQKISZUKRJFFTG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 113236396
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-propylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-propylpropanamide (CID 21366860) is 2-(4-fluorophenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-propylpropanamide?
The InChIKey is SQKISZUKRJFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-8-14-12(15)9(2)16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-fluorophenoxy)-N-propylpropanamide?
2-(4-fluorophenoxy)-N-propylpropanamide has a molecular weight of 225.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-propylpropanamide is sourced from PubChem (CID 21366860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).