2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide

C17H15ClN2O2 — CID 1477196

IUPAC2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15ClN2O2/c1-20-14-6-4-3-5-13(14)15(16(20)18)17(21)19-11-7-9-12(22-2)10-8-11/h3-10H,1-2H3,(H,19,21)
InChIKeyMIQHZDDIKACMHJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide

2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide (PubChem CID 1477196) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
PubChem CID1477196
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15ClN2O2/c1-20-14-6-4-3-5-13(14)15(16(20)18)17(21)19-11-7-9-12(22-2)10-8-11/h3-10H,1-2H3,(H,19,21)
InChIKeyMIQHZDDIKACMHJ-UHFFFAOYSA-N
XLogP4.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-benzylsulfanyl-N-(4-chlorophenyl)-1-methylindole-3-carboxamide
CID 5152634
N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
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3-methoxy-1-methyl-N-(4-methylphenyl)indole-2-carboxamide
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[4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]phenyl] 2,2-dimethylpropanoate
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2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide (CID 1477196) is 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide is COc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
The InChIKey is MIQHZDDIKACMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-20-14-6-4-3-5-13(14)15(16(20)18)17(21)19-11-7-9-12(22-2)10-8-11/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 1477196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).