5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide

C19H19FN2O4 — CID 113204658

IUPAC5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2C)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O4/c1-10-13-7-11(20)5-6-14(13)22-17(10)19(23)21-12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9,22H,1-4H3,(H,21,23)
InChIKeySWGLRXMSQJYOJQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.89
Rot. Bonds5

About 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide

5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 113204658) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
PubChem CID113204658
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2C)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O4/c1-10-13-7-11(20)5-6-14(13)22-17(10)19(23)21-12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9,22H,1-4H3,(H,21,23)
InChIKeySWGLRXMSQJYOJQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205749
5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113204635
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide (CID 113204658) is 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide is COc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2C)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is SWGLRXMSQJYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-10-13-7-11(20)5-6-14(13)22-17(10)19(23)21-12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9,22H,1-4H3,(H,21,23).
What are the key properties of 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide?
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113204658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).