N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide

C21H24FN3O — CID 21445480

IUPACN-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)NCCN(C)C)c(-c3ccccc3F)c2c1
InChIInChI=1S/C21H24FN3O/c1-4-14-9-10-18-16(13-14)19(15-7-5-6-8-17(15)22)20(24-18)21(26)23-11-12-25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyYMUJEUWRLHZWAL-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 21445480) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID21445480
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)NCCN(C)C)c(-c3ccccc3F)c2c1
InChIInChI=1S/C21H24FN3O/c1-4-14-9-10-18-16(13-14)19(15-7-5-6-8-17(15)22)20(24-18)21(26)23-11-12-25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyYMUJEUWRLHZWAL-UHFFFAOYSA-N
XLogP3.83
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
CID 123952804
N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 812295
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate
CID 58240799
N-[(2S)-2-amino-4-hydroxyhexyl]-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide
CID 175625557
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide (CID 21445480) is N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)NCCN(C)C)c(-c3ccccc3F)c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is YMUJEUWRLHZWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-4-14-9-10-18-16(13-14)19(15-7-5-6-8-17(15)22)20(24-18)21(26)23-11-12-25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 21445480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).