5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one

C27H28Cl2N2O2 — CID 15521777

IUPAC5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one
SMILESCCN(CC)c1ccc(CN2C(=O)C(C)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C27H28Cl2N2O2/c1-5-30(6-2)20-13-11-18(25(16-20)33-4)17-31-24-14-12-19(28)15-22(24)27(3,26(31)32)21-9-7-8-10-23(21)29/h7-16H,5-6,17H2,1-4H3
InChIKeyAHBSIRQCEVUXDV-UHFFFAOYSA-N
MW483.44 g/mol
LogP6.70
Rot. Bonds7

About 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one

5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one (PubChem CID 15521777) has the molecular formula C27H28Cl2N2O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one
PubChem CID15521777
Molecular FormulaC27H28Cl2N2O2
Molecular Weight483.44 g/mol
Exact Mass482.15
IUPAC Name5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one
SMILESCCN(CC)c1ccc(CN2C(=O)C(C)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C27H28Cl2N2O2/c1-5-30(6-2)20-13-11-18(25(16-20)33-4)17-31-24-14-12-19(28)15-22(24)27(3,26(31)32)21-9-7-8-10-23(21)29/h7-16H,5-6,17H2,1-4H3
InChIKeyAHBSIRQCEVUXDV-UHFFFAOYSA-N
XLogP6.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one (CID 15521777) is 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one is CCN(CC)c1ccc(CN2C(=O)C(C)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one?
The InChIKey is AHBSIRQCEVUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O2/c1-5-30(6-2)20-13-11-18(25(16-20)33-4)17-31-24-14-12-19(28)15-22(24)27(3,26(31)32)21-9-7-8-10-23(21)29/h7-16H,5-6,17H2,1-4H3.
What are the key properties of 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one?
5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one has a molecular weight of 483.44 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-1-[[4-(diethylamino)-2-methoxyphenyl]methyl]-3-methylindol-2-one is sourced from PubChem (CID 15521777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).