2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide

C24H14F18N2O2 — CID 4152473

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c2)ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H14F18N2O2/c1-9-7-11(3-5-13(9)43-15(45)17(25,26)19(29,30)21(33,34)23(37,38)39)12-4-6-14(10(2)8-12)44-16(46)18(27,28)20(31,32)22(35,36)24(40,41)42/h3-8H,1-2H3,(H,43,45)(H,44,46)
InChIKeyPTBVSZGPPZWSFU-UHFFFAOYSA-N
MW704.35 g/mol
LogP8.78
Rot. Bonds9

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide (PubChem CID 4152473) has the molecular formula C24H14F18N2O2 and a molecular weight of 704.35 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide
PubChem CID4152473
Molecular FormulaC24H14F18N2O2
Molecular Weight704.35 g/mol
Exact Mass704.08
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c2)ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H14F18N2O2/c1-9-7-11(3-5-13(9)43-15(45)17(25,26)19(29,30)21(33,34)23(37,38)39)12-4-6-14(10(2)8-12)44-16(46)18(27,28)20(31,32)22(35,36)24(40,41)42/h3-8H,1-2H3,(H,43,45)(H,44,46)
InChIKeyPTBVSZGPPZWSFU-UHFFFAOYSA-N
XLogP8.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.35
LogP ≤ 58.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 118215209
N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3632427
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
CID 3121130
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
CID 114038112
N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 167946081
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
N-(5-chloro-2-methoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4165348
ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)benzoate
CID 5086660

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide (CID 4152473) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide is Cc1cc(-c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c2)ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide?
The InChIKey is PTBVSZGPPZWSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F18N2O2/c1-9-7-11(3-5-13(9)43-15(45)17(25,26)19(29,30)21(33,34)23(37,38)39)12-4-6-14(10(2)8-12)44-16(46)18(27,28)20(31,32)22(35,36)24(40,41)42/h3-8H,1-2H3,(H,43,45)(H,44,46).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide has a molecular weight of 704.35 g/mol, XLogP of 8.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide is sourced from PubChem (CID 4152473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).