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

C17H24FN3O — CID 113210302

IUPACN-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCN(C)CCCNC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H24FN3O/c1-17(2,16(22)19-8-5-9-21(3)4)14-11-20-15-10-12(18)6-7-13(14)15/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyMOHTVYMWDGJXNA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.65
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210302) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210302
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCN(C)CCCNC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H24FN3O/c1-17(2,16(22)19-8-5-9-21(3)4)14-11-20-15-10-12(18)6-7-13(14)15/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyMOHTVYMWDGJXNA-UHFFFAOYSA-N
XLogP2.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
CID 113210360
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210295
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210414
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210289
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide (CID 113210302) is N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide is CN(C)CCCNC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is MOHTVYMWDGJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-17(2,16(22)19-8-5-9-21(3)4)14-11-20-15-10-12(18)6-7-13(14)15/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).