N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide

C20H21FN2O — CID 113209959

IUPACN-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCCc1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21FN2O/c1-4-13-7-5-6-8-17(13)23-19(24)20(2,3)16-12-22-18-10-9-14(21)11-15(16)18/h5-12,22H,4H2,1-3H3,(H,23,24)
InChIKeyOYJIDENTAWJTJR-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.79
Rot. Bonds4

About N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide

N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113209959) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113209959
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCCc1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21FN2O/c1-4-13-7-5-6-8-17(13)23-19(24)20(2,3)16-12-22-18-10-9-14(21)11-15(16)18/h5-12,22H,4H2,1-3H3,(H,23,24)
InChIKeyOYJIDENTAWJTJR-UHFFFAOYSA-N
XLogP4.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210009
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
2-(5-fluoro-1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 113209901
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide (CID 113209959) is N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide is CCc1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is OYJIDENTAWJTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-4-13-7-5-6-8-17(13)23-19(24)20(2,3)16-12-22-18-10-9-14(21)11-15(16)18/h5-12,22H,4H2,1-3H3,(H,23,24).
What are the key properties of N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 324.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113209959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).