N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide

C16H21FN2O — CID 113210289

IUPACN-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H21FN2O/c1-5-10(2)19-15(20)16(3,4)13-9-18-14-8-11(17)6-7-12(13)14/h6-10,18H,5H2,1-4H3,(H,19,20)
InChIKeyKVKLKZGDGDIPHV-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.50
Rot. Bonds4

About N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide

N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210289) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210289
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H21FN2O/c1-5-10(2)19-15(20)16(3,4)13-9-18-14-8-11(17)6-7-12(13)14/h6-10,18H,5H2,1-4H3,(H,19,20)
InChIKeyKVKLKZGDGDIPHV-UHFFFAOYSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
CID 113210360
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
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-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210414
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210295
N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide
CID 75448080
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide (CID 113210289) is N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide is CCC(C)NC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is KVKLKZGDGDIPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-5-10(2)19-15(20)16(3,4)13-9-18-14-8-11(17)6-7-12(13)14/h6-10,18H,5H2,1-4H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide?
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 276.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).