2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide

C21H26FNO3 — CID 132654154

IUPAC2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FNO3/c1-15(2)25-19-10-6-17(7-11-19)5-4-14-23-21(24)16(3)26-20-12-8-18(22)9-13-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,23,24)
InChIKeyRWDHFINLSMKDJE-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.13
Rot. Bonds9

About 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide

2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 132654154) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID132654154
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FNO3/c1-15(2)25-19-10-6-17(7-11-19)5-4-14-23-21(24)16(3)26-20-12-8-18(22)9-13-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,23,24)
InChIKeyRWDHFINLSMKDJE-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132655449
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide (CID 132654154) is 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide is CC(C)Oc1ccc(CCCNC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is RWDHFINLSMKDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15(2)25-19-10-6-17(7-11-19)5-4-14-23-21(24)16(3)26-20-12-8-18(22)9-13-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 359.44 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 132654154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).