2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide

C22H24ClFN4O2 — CID 58467738

IUPAC2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
SMILESC[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CC(=O)Nc1ccc2c(c1)N(C)C(=O)C2
InChIInChI=1S/C22H24ClFN4O2/c1-14-12-28(17-5-6-18(23)19(24)11-17)8-7-27(14)13-21(29)25-16-4-3-15-9-22(30)26(2)20(15)10-16/h3-6,10-11,14H,7-9,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyRIPJODZAPRLGHL-CQSZACIVSA-N
MW430.91 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide

2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide (PubChem CID 58467738) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
PubChem CID58467738
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
SMILESC[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CC(=O)Nc1ccc2c(c1)N(C)C(=O)C2
InChIInChI=1S/C22H24ClFN4O2/c1-14-12-28(17-5-6-18(23)19(24)11-17)8-7-27(14)13-21(29)25-16-4-3-15-9-22(30)26(2)20(15)10-16/h3-6,10-11,14H,7-9,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyRIPJODZAPRLGHL-CQSZACIVSA-N
XLogP3.15
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
The IUPAC name of 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide (CID 58467738) is 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide is C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CC(=O)Nc1ccc2c(c1)N(C)C(=O)C2.
What is the InChIKey of 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
The InChIKey is RIPJODZAPRLGHL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-14-12-28(17-5-6-18(23)19(24)11-17)8-7-27(14)13-21(29)25-16-4-3-15-9-22(30)26(2)20(15)10-16/h3-6,10-11,14H,7-9,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide has a molecular weight of 430.91 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide is sourced from PubChem (CID 58467738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).