1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide

C24H26ClN3O3 — CID 22627368

IUPAC1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
SMILESCCCc1c(C(=O)N2CCOCC2)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-2-5-20-22(24(30)27-10-12-31-13-11-27)18-9-8-16(23(26)29)14-21(18)28(20)15-17-6-3-4-7-19(17)25/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H2,26,29)
InChIKeyZVFYDJBAGUDSAY-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.87
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide

1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide (PubChem CID 22627368) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
PubChem CID22627368
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
SMILESCCCc1c(C(=O)N2CCOCC2)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-2-5-20-22(24(30)27-10-12-31-13-11-27)18-9-8-16(23(26)29)14-21(18)28(20)15-17-6-3-4-7-19(17)25/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H2,26,29)
InChIKeyZVFYDJBAGUDSAY-UHFFFAOYSA-N
XLogP3.87
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide (CID 22627368) is 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide is CCCc1c(C(=O)N2CCOCC2)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide?
The InChIKey is ZVFYDJBAGUDSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-2-5-20-22(24(30)27-10-12-31-13-11-27)18-9-8-16(23(26)29)14-21(18)28(20)15-17-6-3-4-7-19(17)25/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H2,26,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide?
1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide is sourced from PubChem (CID 22627368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).