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

C14H17FN2O — CID 49408649

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O/c1-9(2)14(18)16-6-5-10-8-17-13-7-11(15)3-4-12(10)13/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyLPDPXTOYGMFOJV-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.62
Rot. Bonds4

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

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 49408649) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID49408649
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O/c1-9(2)14(18)16-6-5-10-8-17-13-7-11(15)3-4-12(10)13/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyLPDPXTOYGMFOJV-UHFFFAOYSA-N
XLogP2.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49408271
propan-2-yl 3-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111888313
3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
CID 167932224
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 49408649) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is LPDPXTOYGMFOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9(2)14(18)16-6-5-10-8-17-13-7-11(15)3-4-12(10)13/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 248.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 49408649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).