6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide

C18H17ClN2O3 — CID 113205346

IUPAC6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]c3cc(Cl)ccc3c2C)cc1OC
InChIInChI=1S/C18H17ClN2O3/c1-10-13-6-4-11(19)8-14(13)21-17(10)18(22)20-12-5-7-15(23-2)16(9-12)24-3/h4-9,21H,1-3H3,(H,20,22)
InChIKeyCQQUBAPZIRVOEX-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.40
Rot. Bonds4

About 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide

6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205346) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113205346
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]c3cc(Cl)ccc3c2C)cc1OC
InChIInChI=1S/C18H17ClN2O3/c1-10-13-6-4-11(19)8-14(13)21-17(10)18(22)20-12-5-7-15(23-2)16(9-12)24-3/h4-9,21H,1-3H3,(H,20,22)
InChIKeyCQQUBAPZIRVOEX-UHFFFAOYSA-N
XLogP4.40
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide
CID 113205360
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367
4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113205346) is 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2[nH]c3cc(Cl)ccc3c2C)cc1OC.
What is the InChIKey of 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is CQQUBAPZIRVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-10-13-6-4-11(19)8-14(13)21-17(10)18(22)20-12-5-7-15(23-2)16(9-12)24-3/h4-9,21H,1-3H3,(H,20,22).
What are the key properties of 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).