4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide

C83H61N7O11 — CID 158179575

IUPAC4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1.N#CCc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)cc1.N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H21N3O3.C27H17N3O3.C27H23NO5/c30-19-17-21-1-9-25(10-2-21)34-27-13-5-23(6-14-27)29(33)32-24-7-15-28(16-8-24)35-26-11-3-22(4-12-26)18-20-31;28-17-19-1-9-23(10-2-19)32-25-13-5-21(6-14-25)27(31)30-22-7-15-26(16-8-22)33-24-11-3-20(18-29)4-12-24;1-30-21-11-15-25(16-12-21)32-23-7-3-19(4-8-23)27(29)28-20-5-9-24(10-6-20)33-26-17-13-22(31-2)14-18-26/h1-16H,17-18H2,(H,32,33);1-16H,(H,30,31);3-18H,1-2H3,(H,28,29)
InChIKeyFYKLCIMEWCCWAT-UHFFFAOYSA-N
MW1332.44 g/mol
LogP19.46
Rot. Bonds22

About 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide

4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide (PubChem CID 158179575) has the molecular formula C83H61N7O11 and a molecular weight of 1332.44 g/mol. Its IUPAC name is 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
PubChem CID158179575
Molecular FormulaC83H61N7O11
Molecular Weight1332.44 g/mol
Exact Mass1331.44
IUPAC Name4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1.N#CCc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)cc1.N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H21N3O3.C27H17N3O3.C27H23NO5/c30-19-17-21-1-9-25(10-2-21)34-27-13-5-23(6-14-27)29(33)32-24-7-15-28(16-8-24)35-26-11-3-22(4-12-26)18-20-31;28-17-19-1-9-23(10-2-19)32-25-13-5-21(6-14-25)27(31)30-22-7-15-26(16-8-22)33-24-11-3-20(18-29)4-12-24;1-30-21-11-15-25(16-12-21)32-23-7-3-19(4-8-23)27(29)28-20-5-9-24(10-6-20)33-26-17-13-22(31-2)14-18-26/h1-16H,17-18H2,(H,32,33);1-16H,(H,30,31);3-18H,1-2H3,(H,28,29)
InChIKeyFYKLCIMEWCCWAT-UHFFFAOYSA-N
XLogP19.46
TPSA256.30 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.44
LogP ≤ 519.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide with MolForge

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Related Compounds

1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
CID 82179539
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
CID 58834878
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
1-[4-(cyanomethyl)phenyl]-3-[5-(4-cyanophenoxy)-2-fluorophenyl]urea
CID 126674546

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide?
The IUPAC name of 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide (CID 158179575) is 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide is COc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1.N#CCc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc2)cc1.N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide?
The InChIKey is FYKLCIMEWCCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O3.C27H17N3O3.C27H23NO5/c30-19-17-21-1-9-25(10-2-21)34-27-13-5-23(6-14-27)29(33)32-24-7-15-28(16-8-24)35-26-11-3-22(4-12-26)18-20-31;28-17-19-1-9-23(10-2-19)32-25-13-5-21(6-14-25)27(31)30-22-7-15-26(16-8-22)33-24-11-3-20(18-29)4-12-24;1-30-21-11-15-25(16-12-21)32-23-7-3-19(4-8-23)27(29)28-20-5-9-24(10-6-20)33-26-17-13-22(31-2)14-18-26/h1-16H,17-18H2,(H,32,33);1-16H,(H,30,31);3-18H,1-2H3,(H,28,29).
What are the key properties of 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide?
4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide has a molecular weight of 1332.44 g/mol, XLogP of 19.46, 22 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 158179575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).