2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide

C16H20F5NO2 — CID 165362052

IUPAC2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide
SMILESCCCN(C(=O)C(F)(F)C(F)(F)F)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H20F5NO2/c1-4-9-22(14(23)15(17,18)16(19,20)21)11(2)10-12-5-7-13(24-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBECWOVKRFYSYSV-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.06
Rot. Bonds7

About 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide

2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide (PubChem CID 165362052) has the molecular formula C16H20F5NO2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide
PubChem CID165362052
Molecular FormulaC16H20F5NO2
Molecular Weight353.33 g/mol
Exact Mass353.14
IUPAC Name2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide
SMILESCCCN(C(=O)C(F)(F)C(F)(F)F)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H20F5NO2/c1-4-9-22(14(23)15(17,18)16(19,20)21)11(2)10-12-5-7-13(24-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBECWOVKRFYSYSV-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide
CID 91733394
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
1-(4-methoxyphenyl)-2-methylheptan-4-one
CID 83932106
ethyl (2S)-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoate
CID 71001645
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
CID 122147349
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide (CID 165362052) is 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide is CCCN(C(=O)C(F)(F)C(F)(F)F)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide?
The InChIKey is BECWOVKRFYSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F5NO2/c1-4-9-22(14(23)15(17,18)16(19,20)21)11(2)10-12-5-7-13(24-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide?
2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide has a molecular weight of 353.33 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide is sourced from PubChem (CID 165362052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).