N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C46H40F3N5O7 — CID 177202026

IUPACN-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(CC1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)NCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)c1
InChIInChI=1S/C46H40F3N5O7/c47-46(48,49)32-8-11-34(12-9-32)61-39-6-2-5-30-23-31(7-13-35(30)39)42(57)51-26-29-4-1-3-28(21-29)25-50-41(56)22-27-17-19-53(20-18-27)33-10-14-36-37(24-33)45(60)54(44(36)59)38-15-16-40(55)52-43(38)58/h1-14,21,23-24,27,38H,15-20,22,25-26H2,(H,50,56)(H,51,57)(H,52,55,58)
InChIKeyZYLBJNOLWBINBC-UHFFFAOYSA-N
MW831.85 g/mol
LogP6.91
Rot. Bonds11

About N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 177202026) has the molecular formula C46H40F3N5O7 and a molecular weight of 831.85 g/mol. Its IUPAC name is N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID177202026
Molecular FormulaC46H40F3N5O7
Molecular Weight831.85 g/mol
Exact Mass831.29
IUPAC NameN-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(CC1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)NCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)c1
InChIInChI=1S/C46H40F3N5O7/c47-46(48,49)32-8-11-34(12-9-32)61-39-6-2-5-30-23-31(7-13-35(30)39)42(57)51-26-29-4-1-3-28(21-29)25-50-41(56)22-27-17-19-53(20-18-27)33-10-14-36-37(24-33)45(60)54(44(36)59)38-15-16-40(55)52-43(38)58/h1-14,21,23-24,27,38H,15-20,22,25-26H2,(H,50,56)(H,51,57)(H,52,55,58)
InChIKeyZYLBJNOLWBINBC-UHFFFAOYSA-N
XLogP6.91
TPSA154.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.85
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 177202026) is N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is O=C(CC1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)NCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)c1.
What is the InChIKey of N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is ZYLBJNOLWBINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40F3N5O7/c47-46(48,49)32-8-11-34(12-9-32)61-39-6-2-5-30-23-31(7-13-35(30)39)42(57)51-26-29-4-1-3-28(21-29)25-50-41(56)22-27-17-19-53(20-18-27)33-10-14-36-37(24-33)45(60)54(44(36)59)38-15-16-40(55)52-43(38)58/h1-14,21,23-24,27,38H,15-20,22,25-26H2,(H,50,56)(H,51,57)(H,52,55,58).
What are the key properties of N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 831.85 g/mol, XLogP of 6.91, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetyl]amino]methyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 177202026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).