N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide

C18H15ClN2O2 — CID 110861142

IUPACN-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(Cl)cccc23)cc1
InChIInChI=1S/C18H15ClN2O2/c1-10-16(14-4-3-5-15(19)17(14)20-10)18(23)21-13-8-6-12(7-9-13)11(2)22/h3-9,20H,1-2H3,(H,21,23)
InChIKeyDGZCODVSUZBXND-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.58
Rot. Bonds3

About N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide

N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110861142) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
PubChem CID110861142
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(Cl)cccc23)cc1
InChIInChI=1S/C18H15ClN2O2/c1-10-16(14-4-3-5-15(19)17(14)20-10)18(23)21-13-8-6-12(7-9-13)11(2)22/h3-9,20H,1-2H3,(H,21,23)
InChIKeyDGZCODVSUZBXND-UHFFFAOYSA-N
XLogP4.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide (CID 110861142) is N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(Cl)cccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is DGZCODVSUZBXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-10-16(14-4-3-5-15(19)17(14)20-10)18(23)21-13-8-6-12(7-9-13)11(2)22/h3-9,20H,1-2H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide?
N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110861142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).