2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide

C15H18F5NO2 — CID 91733394

IUPAC2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide
SMILESCOc1cc(C)cc(CC(C)N(C)C(=O)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C15H18F5NO2/c1-9-5-11(8-12(6-9)23-4)7-10(2)21(3)13(22)14(16,17)15(18,19)20/h5-6,8,10H,7H2,1-4H3
InChIKeyXCWZQIRTQHYMKJ-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.59
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide

2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide (PubChem CID 91733394) has the molecular formula C15H18F5NO2 and a molecular weight of 339.30 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide
PubChem CID91733394
Molecular FormulaC15H18F5NO2
Molecular Weight339.30 g/mol
Exact Mass339.13
IUPAC Name2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide
SMILESCOc1cc(C)cc(CC(C)N(C)C(=O)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C15H18F5NO2/c1-9-5-11(8-12(6-9)23-4)7-10(2)21(3)13(22)14(16,17)15(18,19)20/h5-6,8,10H,7H2,1-4H3
InChIKeyXCWZQIRTQHYMKJ-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.59
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

N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 10584457
N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 10704222
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide
CID 155548813
N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide
CID 14901813
1-[4-(3-Methoxyphenyl)piperidin-1-yl]propan-1-one
CID 53320281
Acetamide, 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]-
CID 22292822
N-[2-(4-Fluoro-3-methoxyphenyl)ethyl]acetamide
CID 14901812
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]butanamide
CID 155517676
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]propanamide
CID 155529219
N-[2-(2-fluoro-5-methoxyphenyl)-2-methylpropyl]propanamide
CID 155529235
N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide
CID 155547567
N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide
CID 155560062

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide (CID 91733394) is 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide is COc1cc(C)cc(CC(C)N(C)C(=O)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide?
The InChIKey is XCWZQIRTQHYMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5NO2/c1-9-5-11(8-12(6-9)23-4)7-10(2)21(3)13(22)14(16,17)15(18,19)20/h5-6,8,10H,7H2,1-4H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide has a molecular weight of 339.30 g/mol, XLogP of 3.59, 5 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-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 91733394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).