N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide

C31H24F6N2O4 — CID 16761080

IUPACN-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc(C(c3ccc(Oc4cccc(NC(C)=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C31H24F6N2O4/c1-19(40)38-23-5-3-7-27(17-23)42-25-13-9-21(10-14-25)29(30(32,33)34,31(35,36)37)22-11-15-26(16-12-22)43-28-8-4-6-24(18-28)39-20(2)41/h3-18H,1-2H3,(H,38,40)(H,39,41)
InChIKeyLRTIPQTWJXDYIN-UHFFFAOYSA-N
MW602.53 g/mol
LogP8.60
Rot. Bonds8

About N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide

N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide (PubChem CID 16761080) has the molecular formula C31H24F6N2O4 and a molecular weight of 602.53 g/mol. Its IUPAC name is N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide
PubChem CID16761080
Molecular FormulaC31H24F6N2O4
Molecular Weight602.53 g/mol
Exact Mass602.16
IUPAC NameN-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc(C(c3ccc(Oc4cccc(NC(C)=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C31H24F6N2O4/c1-19(40)38-23-5-3-7-27(17-23)42-25-13-9-21(10-14-25)29(30(32,33)34,31(35,36)37)22-11-15-26(16-12-22)43-28-8-4-6-24(18-28)39-20(2)41/h3-18H,1-2H3,(H,38,40)(H,39,41)
InChIKeyLRTIPQTWJXDYIN-UHFFFAOYSA-N
XLogP8.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.53
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide with MolForge

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Related Compounds

(6S)-N-(4-Methoxyphenyl)-4-(4-methylphenyl)-2-oxo-6-[4-[3-(trifluoromethyl)propoxy]phenyl]-6-trifluoromethyl-1,2,5,6-tetrahydropyridine-3-carboxamide
CID 71582673
(2S)-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 71581778
N-(4-methoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 73348048
N-(3-methoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 122362714
4-(4-methylphenyl)-6-oxo-N-phenyl-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 122362715
4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 78120767
4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3-dihydropyridine-5-carboxamide
CID 90304710
3,3'-(Biphenyl-4,4'-diylbis(oxy))dianiline
CID 11810717
3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 2945757
N,N'-[(diphenylmethanediyl)bis(benzene-4,1-diyloxybenzene-4,1-diyl)]diacetamide
CID 3092398
2,2,2-trifluoro-N-(4-{3-[1-methyl-1-(4-{4-[(trifluoroacetyl)amino]phenoxy}phenyl)ethyl]phenoxy}phenyl)acetamide
CID 9511051
N-(3-((4''-(trifluoromethyl)biphenyl-4-yl)methoxy)phenyl)piperidine-4-carboxamide
CID 25222771

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide (CID 16761080) is N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc(C(c3ccc(Oc4cccc(NC(C)=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide?
The InChIKey is LRTIPQTWJXDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F6N2O4/c1-19(40)38-23-5-3-7-27(17-23)42-25-13-9-21(10-14-25)29(30(32,33)34,31(35,36)37)22-11-15-26(16-12-22)43-28-8-4-6-24(18-28)39-20(2)41/h3-18H,1-2H3,(H,38,40)(H,39,41).
What are the key properties of N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide?
N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide has a molecular weight of 602.53 g/mol, XLogP of 8.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[4-(3-acetamidophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 16761080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).