N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide

C17H15ClN2O3 — CID 113206630

IUPACN-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(OC)c(Cl)c3)c[nH]c2c1
InChIInChI=1S/C17H15ClN2O3/c1-22-11-4-5-12-13(9-19-15(12)8-11)17(21)20-10-3-6-16(23-2)14(18)7-10/h3-9,19H,1-2H3,(H,20,21)
InChIKeyTWWQMLTWDJYZDY-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.09
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206630) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206630
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(OC)c(Cl)c3)c[nH]c2c1
InChIInChI=1S/C17H15ClN2O3/c1-22-11-4-5-12-13(9-19-15(12)8-11)17(21)20-10-3-6-16(23-2)14(18)7-10/h3-9,19H,1-2H3,(H,20,21)
InChIKeyTWWQMLTWDJYZDY-UHFFFAOYSA-N
XLogP4.09
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide (CID 113206630) is N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide is COc1ccc2c(C(=O)Nc3ccc(OC)c(Cl)c3)c[nH]c2c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is TWWQMLTWDJYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-11-4-5-12-13(9-19-15(12)8-11)17(21)20-10-3-6-16(23-2)14(18)7-10/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).