N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide

C19H16ClN3O3 — CID 113213187

IUPACN-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(C(C)=O)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C19H16ClN3O3/c1-11(24)21-14-4-6-15(7-5-14)22-19(26)17-10-23(12(2)25)18-9-13(20)3-8-16(17)18/h3-10H,1-2H3,(H,21,24)(H,22,26)
InChIKeyZAFZJOZWVVSKJM-UHFFFAOYSA-N
MW369.81 g/mol
LogP4.17
Rot. Bonds3

About N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide

N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide (PubChem CID 113213187) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
PubChem CID113213187
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(C(C)=O)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C19H16ClN3O3/c1-11(24)21-14-4-6-15(7-5-14)22-19(26)17-10-23(12(2)25)18-9-13(20)3-8-16(17)18/h3-10H,1-2H3,(H,21,24)(H,22,26)
InChIKeyZAFZJOZWVVSKJM-UHFFFAOYSA-N
XLogP4.17
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191
methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213189
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-6-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113213173
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide (CID 113213187) is N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cn(C(C)=O)c3cc(Cl)ccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide?
The InChIKey is ZAFZJOZWVVSKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11(24)21-14-4-6-15(7-5-14)22-19(26)17-10-23(12(2)25)18-9-13(20)3-8-16(17)18/h3-10H,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide?
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide is sourced from PubChem (CID 113213187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).