5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide

C20H20FN3O2 — CID 113204648

IUPAC5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2N2CCOCC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H20FN3O2/c1-13-15-12-14(21)6-7-16(15)22-19(13)20(25)23-17-4-2-3-5-18(17)24-8-10-26-11-9-24/h2-7,12,22H,8-11H2,1H3,(H,23,25)
InChIKeyGKYAPWYIWAHOIA-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.70
Rot. Bonds3

About 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide

5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 113204648) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
PubChem CID113204648
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2N2CCOCC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H20FN3O2/c1-13-15-12-14(21)6-7-16(15)22-19(13)20(25)23-17-4-2-3-5-18(17)24-8-10-26-11-9-24/h2-7,12,22H,8-11H2,1H3,(H,23,25)
InChIKeyGKYAPWYIWAHOIA-UHFFFAOYSA-N
XLogP3.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.70
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

2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832134
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
N-(2-bromophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205230
N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205194

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide (CID 113204648) is 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide is Cc1c(C(=O)Nc2ccccc2N2CCOCC2)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is GKYAPWYIWAHOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-15-12-14(21)6-7-16(15)22-19(13)20(25)23-17-4-2-3-5-18(17)24-8-10-26-11-9-24/h2-7,12,22H,8-11H2,1H3,(H,23,25).
What are the key properties of 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113204648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).