5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide

C18H16Cl2N2O3 — CID 113204787

IUPAC5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c(OC)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-9-11-6-10(19)4-5-13(11)21-17(9)18(23)22-14-8-15(24-2)12(20)7-16(14)25-3/h4-8,21H,1-3H3,(H,22,23)
InChIKeySSLLKUSCYHZVCB-UHFFFAOYSA-N
MW379.24 g/mol
LogP5.05
Rot. Bonds4

About 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide

5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204787) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113204787
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c(OC)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-9-11-6-10(19)4-5-13(11)21-17(9)18(23)22-14-8-15(24-2)12(20)7-16(14)25-3/h4-8,21H,1-3H3,(H,22,23)
InChIKeySSLLKUSCYHZVCB-UHFFFAOYSA-N
XLogP5.05
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.24
LogP ≤ 55.05
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

N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-1H-indole-2-carboxamide
CID 155913457
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113204787) is 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide is COc1cc(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)c(OC)cc1Cl.
What is the InChIKey of 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is SSLLKUSCYHZVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-9-11-6-10(19)4-5-13(11)21-17(9)18(23)22-14-8-15(24-2)12(20)7-16(14)25-3/h4-8,21H,1-3H3,(H,22,23).
What are the key properties of 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 379.24 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).