8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide

C24H24F17NO2 — CID 11125285

IUPAC8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide
SMILESO=C(CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCOCc1ccccc1
InChIInChI=1S/C24H24F17NO2/c25-17(26,11-7-2-1-6-10-16(43)42-12-13-44-14-15-8-4-3-5-9-15)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h3-5,8-9H,1-2,6-7,10-14H2,(H,42,43)
InChIKeyAOPMUVZCBCBJKH-UHFFFAOYSA-N
MW681.43 g/mol
LogP8.67
Rot. Bonds18

About 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide

8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide (PubChem CID 11125285) has the molecular formula C24H24F17NO2 and a molecular weight of 681.43 g/mol. Its IUPAC name is 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide.

Molecular Properties

Compound Name8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide
PubChem CID11125285
Molecular FormulaC24H24F17NO2
Molecular Weight681.43 g/mol
Exact Mass681.15
IUPAC Name8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide
SMILESO=C(CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCOCc1ccccc1
InChIInChI=1S/C24H24F17NO2/c25-17(26,11-7-2-1-6-10-16(43)42-12-13-44-14-15-8-4-3-5-9-15)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h3-5,8-9H,1-2,6-7,10-14H2,(H,42,43)
InChIKeyAOPMUVZCBCBJKH-UHFFFAOYSA-N
XLogP8.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.43
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
4-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one
CID 71583092

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide?
The IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide (CID 11125285) is 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide.
What is the SMILES notation for 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide?
The canonical SMILES for 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide is O=C(CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCOCc1ccccc1.
What is the InChIKey of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide?
The InChIKey is AOPMUVZCBCBJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F17NO2/c25-17(26,11-7-2-1-6-10-16(43)42-12-13-44-14-15-8-4-3-5-9-15)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h3-5,8-9H,1-2,6-7,10-14H2,(H,42,43).
What are the key properties of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide?
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide has a molecular weight of 681.43 g/mol, XLogP of 8.67, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide is sourced from PubChem (CID 11125285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).