N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide

C17H15ClN2O2 — CID 113206624

IUPACN-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3cccc(Cl)c3C)c[nH]c2c1
InChIInChI=1S/C17H15ClN2O2/c1-10-14(18)4-3-5-15(10)20-17(21)13-9-19-16-8-11(22-2)6-7-12(13)16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyDONAMZKCENJUPI-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.39
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide

N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206624) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206624
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3cccc(Cl)c3C)c[nH]c2c1
InChIInChI=1S/C17H15ClN2O2/c1-10-14(18)4-3-5-15(10)20-17(21)13-9-19-16-8-11(22-2)6-7-12(13)16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyDONAMZKCENJUPI-UHFFFAOYSA-N
XLogP4.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
6-methoxy-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206662
N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262140
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide (CID 113206624) is N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide is COc1ccc2c(C(=O)Nc3cccc(Cl)c3C)c[nH]c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is DONAMZKCENJUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-14(18)4-3-5-15(10)20-17(21)13-9-19-16-8-11(22-2)6-7-12(13)16/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).