2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide

C28H22F4N2O2 — CID 90426867

IUPAC2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide
SMILESO=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C28H22F4N2O2/c29-22-21(23(30)25(32)26(35)24(22)31)27(36)33-16-17-34-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,34-35H,16-17H2,(H,33,36)
InChIKeyLZVWLNVAJALNMJ-UHFFFAOYSA-N
MW494.49 g/mol
LogP5.26
Rot. Bonds8

About 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide

2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide (PubChem CID 90426867) has the molecular formula C28H22F4N2O2 and a molecular weight of 494.49 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide
PubChem CID90426867
Molecular FormulaC28H22F4N2O2
Molecular Weight494.49 g/mol
Exact Mass494.16
IUPAC Name2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide
SMILESO=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C28H22F4N2O2/c29-22-21(23(30)25(32)26(35)24(22)31)27(36)33-16-17-34-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,34-35H,16-17H2,(H,33,36)
InChIKeyLZVWLNVAJALNMJ-UHFFFAOYSA-N
XLogP5.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
CID 19438513
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
N-[2-(tritylamino)ethyl]formamide
CID 11002043
N-[3-(tritylamino)propyl]prop-2-enamide
CID 139888249
N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide
CID 20696223
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4597287
N'-trityl-N-[4-[7-(tritylamino)heptylamino]butyl]heptane-1,7-diamine
CID 101358103
methyl 2-(tritylamino)acetate
CID 637611
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;N-tritylheptan-1-amine
CID 171930845

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide (CID 90426867) is 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide is O=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(O)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide?
The InChIKey is LZVWLNVAJALNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N2O2/c29-22-21(23(30)25(32)26(35)24(22)31)27(36)33-16-17-34-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,34-35H,16-17H2,(H,33,36).
What are the key properties of 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide?
2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide has a molecular weight of 494.49 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide is sourced from PubChem (CID 90426867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).