4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C26H31Cl2N3O3 — CID 22675058

IUPAC4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)c(OCCO)c2)CC(C)(C)N1
InChIInChI=1S/C26H31Cl2N3O3/c1-25(2)13-17(14-26(3,4)31-25)29-24(33)15-5-6-18(23(11-15)34-8-7-32)22-10-16-9-19(27)20(28)12-21(16)30-22/h5-6,9-12,17,30-32H,7-8,13-14H2,1-4H3,(H,29,33)
InChIKeyMQWCTXTUQMTVPQ-UHFFFAOYSA-N
MW504.46 g/mol
LogP5.55
Rot. Bonds6

About 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 22675058) has the molecular formula C26H31Cl2N3O3 and a molecular weight of 504.46 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID22675058
Molecular FormulaC26H31Cl2N3O3
Molecular Weight504.46 g/mol
Exact Mass503.17
IUPAC Name4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)c(OCCO)c2)CC(C)(C)N1
InChIInChI=1S/C26H31Cl2N3O3/c1-25(2)13-17(14-26(3,4)31-25)29-24(33)15-5-6-18(23(11-15)34-8-7-32)22-10-16-9-19(27)20(28)12-21(16)30-22/h5-6,9-12,17,30-32H,7-8,13-14H2,1-4H3,(H,29,33)
InChIKeyMQWCTXTUQMTVPQ-UHFFFAOYSA-N
XLogP5.55
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.46
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 22675058) is 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)c(OCCO)c2)CC(C)(C)N1.
What is the InChIKey of 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is MQWCTXTUQMTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3O3/c1-25(2)13-17(14-26(3,4)31-25)29-24(33)15-5-6-18(23(11-15)34-8-7-32)22-10-16-9-19(27)20(28)12-21(16)30-22/h5-6,9-12,17,30-32H,7-8,13-14H2,1-4H3,(H,29,33).
What are the key properties of 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 504.46 g/mol, XLogP of 5.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-indol-2-yl)-3-(2-hydroxyethoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 22675058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).