N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

C19H19ClN2O3 — CID 113206980

IUPACN-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3c(C)cc(C)cc3Cl)c2cc1OC
InChIInChI=1S/C19H19ClN2O3/c1-10-5-11(2)18(14(20)6-10)22-19(23)13-9-21-15-8-17(25-4)16(24-3)7-12(13)15/h5-9,21H,1-4H3,(H,22,23)
InChIKeyLITUDXCROWAWOG-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.71
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 113206980) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID113206980
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3c(C)cc(C)cc3Cl)c2cc1OC
InChIInChI=1S/C19H19ClN2O3/c1-10-5-11(2)18(14(20)6-10)22-19(23)13-9-21-15-8-17(25-4)16(24-3)7-12(13)15/h5-9,21H,1-4H3,(H,22,23)
InChIKeyLITUDXCROWAWOG-UHFFFAOYSA-N
XLogP4.71
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (CID 113206980) is N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3c(C)cc(C)cc3Cl)c2cc1OC.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is LITUDXCROWAWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-10-5-11(2)18(14(20)6-10)22-19(23)13-9-21-15-8-17(25-4)16(24-3)7-12(13)15/h5-9,21H,1-4H3,(H,22,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).