N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide

C38H20F8N2O4 — CID 3094030

IUPACN-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)c5ccccc5)c4)c(F)c3F)c(F)c2F)c1)c1ccccc1
InChIInChI=1S/C38H20F8N2O4/c39-27-25(28(40)32(44)35(31(27)43)51-23-15-7-13-21(17-23)47-37(49)19-9-3-1-4-10-19)26-29(41)33(45)36(34(46)30(26)42)52-24-16-8-14-22(18-24)48-38(50)20-11-5-2-6-12-20/h1-18H,(H,47,49)(H,48,50)
InChIKeyVJODOKFFSJNMCP-UHFFFAOYSA-N
MW720.57 g/mol
LogP10.56
Rot. Bonds9

About N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide

N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide (PubChem CID 3094030) has the molecular formula C38H20F8N2O4 and a molecular weight of 720.57 g/mol. Its IUPAC name is N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide
PubChem CID3094030
Molecular FormulaC38H20F8N2O4
Molecular Weight720.57 g/mol
Exact Mass720.13
IUPAC NameN-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)c5ccccc5)c4)c(F)c3F)c(F)c2F)c1)c1ccccc1
InChIInChI=1S/C38H20F8N2O4/c39-27-25(28(40)32(44)35(31(27)43)51-23-15-7-13-21(17-23)47-37(49)19-9-3-1-4-10-19)26-29(41)33(45)36(34(46)30(26)42)52-24-16-8-14-22(18-24)48-38(50)20-11-5-2-6-12-20/h1-18H,(H,47,49)(H,48,50)
InChIKeyVJODOKFFSJNMCP-UHFFFAOYSA-N
XLogP10.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.57
LogP ≤ 510.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
The IUPAC name of N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide (CID 3094030) is N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide is O=C(Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)c5ccccc5)c4)c(F)c3F)c(F)c2F)c1)c1ccccc1.
What is the InChIKey of N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
The InChIKey is VJODOKFFSJNMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F8N2O4/c39-27-25(28(40)32(44)35(31(27)43)51-23-15-7-13-21(17-23)47-37(49)19-9-3-1-4-10-19)26-29(41)33(45)36(34(46)30(26)42)52-24-16-8-14-22(18-24)48-38(50)20-11-5-2-6-12-20/h1-18H,(H,47,49)(H,48,50).
What are the key properties of N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide?
N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide has a molecular weight of 720.57 g/mol, XLogP of 10.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(3-benzamidophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]benzamide is sourced from PubChem (CID 3094030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).