2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide

C16H21FN2O — CID 113209412

IUPAC2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H21FN2O/c1-3-7-19(8-4-2)16(20)9-12-11-18-15-10-13(17)5-6-14(12)15/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyUZVYKDYCAGMUPH-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.50
Rot. Bonds6

About 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide

2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide (PubChem CID 113209412) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
PubChem CID113209412
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H21FN2O/c1-3-7-19(8-4-2)16(20)9-12-11-18-15-10-13(17)5-6-14(12)15/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyUZVYKDYCAGMUPH-UHFFFAOYSA-N
XLogP3.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228796
2-(6-fluoro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113209385
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
CID 110767187
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
CID 167803421
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
N-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 141484612

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide (CID 113209412) is 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide?
The InChIKey is UZVYKDYCAGMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-7-19(8-4-2)16(20)9-12-11-18-15-10-13(17)5-6-14(12)15/h5-6,10-11,18H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide?
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide has a molecular weight of 276.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 113209412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).