1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide

C17H11Cl3N2O2 — CID 113212672

IUPAC1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2c(Cl)cccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C17H11Cl3N2O2/c1-9(23)22-8-12(11-7-10(18)5-6-15(11)22)17(24)21-16-13(19)3-2-4-14(16)20/h2-8H,1H3,(H,21,24)
InChIKeyTYZAJMUTASZTQQ-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.51
Rot. Bonds2

About 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide

1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide (PubChem CID 113212672) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
PubChem CID113212672
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC Name1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2c(Cl)cccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C17H11Cl3N2O2/c1-9(23)22-8-12(11-7-10(18)5-6-15(11)22)17(24)21-16-13(19)3-2-4-14(16)20/h2-8H,1H3,(H,21,24)
InChIKeyTYZAJMUTASZTQQ-UHFFFAOYSA-N
XLogP5.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113212636
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 113212543
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
CID 113212446
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
1-(5-chloro-3-hydroxyindol-1-yl)ethanone
CID 12825917

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide (CID 113212672) is 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)Nc2c(Cl)cccc2Cl)c2cc(Cl)ccc21.
What is the InChIKey of 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide?
The InChIKey is TYZAJMUTASZTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c1-9(23)22-8-12(11-7-10(18)5-6-15(11)22)17(24)21-16-13(19)3-2-4-14(16)20/h2-8H,1H3,(H,21,24).
What are the key properties of 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide?
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide has a molecular weight of 381.65 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide is sourced from PubChem (CID 113212672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).