2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide

C24H28ClN3O2 — CID 139847599

IUPAC2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide
SMILESCCCNC(=O)c1c(C(=O)Nc2c(CC)ccc(Cl)c2CC)n(C)c2ccccc12
InChIInChI=1S/C24H28ClN3O2/c1-5-14-26-23(29)20-17-10-8-9-11-19(17)28(4)22(20)24(30)27-21-15(6-2)12-13-18(25)16(21)7-3/h8-13H,5-7,14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyKHCYMDJJRFZXTQ-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.35
Rot. Bonds7

About 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide

2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide (PubChem CID 139847599) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide
PubChem CID139847599
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide
SMILESCCCNC(=O)c1c(C(=O)Nc2c(CC)ccc(Cl)c2CC)n(C)c2ccccc12
InChIInChI=1S/C24H28ClN3O2/c1-5-14-26-23(29)20-17-10-8-9-11-19(17)28(4)22(20)24(30)27-21-15(6-2)12-13-18(25)16(21)7-3/h8-13H,5-7,14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyKHCYMDJJRFZXTQ-UHFFFAOYSA-N
XLogP5.35
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
CID 10804691
N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 39768886
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539
N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344914
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654
N-[3-(3,4-dichlorophenyl)propyl]-1-methyl-3-(methylamino)-2-oxoquinoline-4-carboxamide
CID 89491205
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
CID 10617961
CID 10617961

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide (CID 139847599) is 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide is CCCNC(=O)c1c(C(=O)Nc2c(CC)ccc(Cl)c2CC)n(C)c2ccccc12.
What is the InChIKey of 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide?
The InChIKey is KHCYMDJJRFZXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-5-14-26-23(29)20-17-10-8-9-11-19(17)28(4)22(20)24(30)27-21-15(6-2)12-13-18(25)16(21)7-3/h8-13H,5-7,14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide?
2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide has a molecular weight of 425.96 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide is sourced from PubChem (CID 139847599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).