N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide

C108H109N13O9 — CID 87790055

IUPACN-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.CC(C)N(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.CCC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C37H39N5O3.C36H36N4O3.C35H34N4O3/c1-26(2)40(3)37(44)39-30-14-20-33(21-15-30)45-32-18-12-29(13-19-32)38-36(43)27-10-16-31(17-11-27)42-25-28(24-41-22-6-7-23-41)34-8-4-5-9-35(34)42;1-25(2)35(41)37-28-11-17-31(18-12-28)43-32-19-13-29(14-20-32)38-36(42)26-9-15-30(16-10-26)40-24-27(23-39-21-5-6-22-39)33-7-3-4-8-34(33)40;1-2-34(40)36-27-11-17-30(18-12-27)42-31-19-13-28(14-20-31)37-35(41)25-9-15-29(16-10-25)39-24-26(23-38-21-5-6-22-38)32-7-3-4-8-33(32)39/h4-5,8-21,25-26H,6-7,22-24H2,1-3H3,(H,38,43)(H,39,44);3-4,7-20,24-25H,5-6,21-23H2,1-2H3,(H,37,41)(H,38,42);3-4,7-20,24H,2,5-6,21-23H2,1H3,(H,36,40)(H,37,41)
InChIKeyCYDZIQBHIMCSKR-UHFFFAOYSA-N
MW1733.14 g/mol
LogP23.63
Rot. Bonds27

About N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide

N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide (PubChem CID 87790055) has the molecular formula C108H109N13O9 and a molecular weight of 1733.14 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide
PubChem CID87790055
Molecular FormulaC108H109N13O9
Molecular Weight1733.14 g/mol
Exact Mass1731.85
IUPAC NameN-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.CC(C)N(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.CCC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C37H39N5O3.C36H36N4O3.C35H34N4O3/c1-26(2)40(3)37(44)39-30-14-20-33(21-15-30)45-32-18-12-29(13-19-32)38-36(43)27-10-16-31(17-11-27)42-25-28(24-41-22-6-7-23-41)34-8-4-5-9-35(34)42;1-25(2)35(41)37-28-11-17-31(18-12-28)43-32-19-13-29(14-20-32)38-36(42)26-9-15-30(16-10-26)40-24-27(23-39-21-5-6-22-39)33-7-3-4-8-34(33)40;1-2-34(40)36-27-11-17-30(18-12-27)42-31-19-13-28(14-20-31)37-35(41)25-9-15-29(16-10-25)39-24-26(23-38-21-5-6-22-38)32-7-3-4-8-33(32)39/h4-5,8-21,25-26H,6-7,22-24H2,1-3H3,(H,38,43)(H,39,44);3-4,7-20,24-25H,5-6,21-23H2,1-2H3,(H,37,41)(H,38,42);3-4,7-20,24H,2,5-6,21-23H2,1H3,(H,36,40)(H,37,41)
InChIKeyCYDZIQBHIMCSKR-UHFFFAOYSA-N
XLogP23.63
TPSA230.04 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001733.14
LogP ≤ 523.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
The IUPAC name of N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide (CID 87790055) is N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide.
What is the SMILES notation for N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
The canonical SMILES for N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide is CC(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.CC(C)N(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.CCC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCC5)c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
The InChIKey is CYDZIQBHIMCSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O3.C36H36N4O3.C35H34N4O3/c1-26(2)40(3)37(44)39-30-14-20-33(21-15-30)45-32-18-12-29(13-19-32)38-36(43)27-10-16-31(17-11-27)42-25-28(24-41-22-6-7-23-41)34-8-4-5-9-35(34)42;1-25(2)35(41)37-28-11-17-31(18-12-28)43-32-19-13-29(14-20-32)38-36(42)26-9-15-30(16-10-26)40-24-27(23-39-21-5-6-22-39)33-7-3-4-8-34(33)40;1-2-34(40)36-27-11-17-30(18-12-27)42-31-19-13-28(14-20-31)37-35(41)25-9-15-29(16-10-25)39-24-26(23-38-21-5-6-22-38)32-7-3-4-8-33(32)39/h4-5,8-21,25-26H,6-7,22-24H2,1-3H3,(H,38,43)(H,39,44);3-4,7-20,24-25H,5-6,21-23H2,1-2H3,(H,37,41)(H,38,42);3-4,7-20,24H,2,5-6,21-23H2,1H3,(H,36,40)(H,37,41).
What are the key properties of N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide has a molecular weight of 1733.14 g/mol, XLogP of 23.63, 27 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpropanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-[[methyl(propan-2-yl)carbamoyl]amino]phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propanoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide is sourced from PubChem (CID 87790055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).