5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide

C17H16N2O3 — CID 11522202

IUPAC5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(N)=O)c(-c3ccccc3)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-21-13-8-11-12(9-14(13)22-2)19-16(17(18)20)15(11)10-6-4-3-5-7-10/h3-9,19H,1-2H3,(H2,18,20)
InChIKeyLRJRYRFBXQZDRU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.95
Rot. Bonds4

About 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide

5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide (PubChem CID 11522202) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
PubChem CID11522202
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(N)=O)c(-c3ccccc3)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-21-13-8-11-12(9-14(13)22-2)19-16(17(18)20)15(11)10-6-4-3-5-7-10/h3-9,19H,1-2H3,(H2,18,20)
InChIKeyLRJRYRFBXQZDRU-UHFFFAOYSA-N
XLogP2.95
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 162652710
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
3-hydroxy-6,7-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 15459134
methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 86006540
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide
CID 174277153
2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 69335099
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445324
[4-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-bromobenzoate
CID 126402833

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide (CID 11522202) is 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide is COc1cc2[nH]c(C(N)=O)c(-c3ccccc3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is LRJRYRFBXQZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-13-8-11-12(9-14(13)22-2)19-16(17(18)20)15(11)10-6-4-3-5-7-10/h3-9,19H,1-2H3,(H2,18,20).
What are the key properties of 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide?
5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 11522202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).