6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide

C18H17ClN2O2 — CID 113205343

IUPAC6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1[nH]c2cc(Cl)ccc2c1C
InChIInChI=1S/C18H17ClN2O2/c1-10-4-7-16(23-3)15(8-10)21-18(22)17-11(2)13-6-5-12(19)9-14(13)20-17/h4-9,20H,1-3H3,(H,21,22)
InChIKeyZYSJMKONSMNUED-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.70
Rot. Bonds3

About 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide

6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205343) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113205343
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1[nH]c2cc(Cl)ccc2c1C
InChIInChI=1S/C18H17ClN2O2/c1-10-4-7-16(23-3)15(8-10)21-18(22)17-11(2)13-6-5-12(19)9-14(13)20-17/h4-9,20H,1-3H3,(H,21,22)
InChIKeyZYSJMKONSMNUED-UHFFFAOYSA-N
XLogP4.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113205343) is 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1[nH]c2cc(Cl)ccc2c1C.
What is the InChIKey of 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is ZYSJMKONSMNUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-10-4-7-16(23-3)15(8-10)21-18(22)17-11(2)13-6-5-12(19)9-14(13)20-17/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).