N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide

C20H22FN3O — CID 113210414

IUPACN-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C20H22FN3O/c1-20(2,17-12-22-18-11-13(21)5-10-16(17)18)19(25)23-14-6-8-15(9-7-14)24(3)4/h5-12,22H,1-4H3,(H,23,25)
InChIKeyUFSZCYDZSXKWLA-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.29
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide

N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210414) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210414
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C20H22FN3O/c1-20(2,17-12-22-18-11-13(21)5-10-16(17)18)19(25)23-14-6-8-15(9-7-14)24(3)4/h5-12,22H,1-4H3,(H,23,25)
InChIKeyUFSZCYDZSXKWLA-UHFFFAOYSA-N
XLogP4.29
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210289
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210529
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide (CID 113210414) is N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide is CN(C)c1ccc(NC(=O)C(C)(C)c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is UFSZCYDZSXKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-20(2,17-12-22-18-11-13(21)5-10-16(17)18)19(25)23-14-6-8-15(9-7-14)24(3)4/h5-12,22H,1-4H3,(H,23,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 339.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).