2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide

C18H25FN2O — CID 113084172

IUPAC2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
SMILESCCC(CC)C(=O)NCC(C)(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H25FN2O/c1-5-12(6-2)17(22)21-11-18(3,4)15-10-20-16-8-7-13(19)9-14(15)16/h7-10,12,20H,5-6,11H2,1-4H3,(H,21,22)
InChIKeyPYDXGLOJZVXHFK-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.14
Rot. Bonds6

About 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide

2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide (PubChem CID 113084172) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
PubChem CID113084172
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
SMILESCCC(CC)C(=O)NCC(C)(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H25FN2O/c1-5-12(6-2)17(22)21-11-18(3,4)15-10-20-16-8-7-13(19)9-14(15)16/h7-10,12,20H,5-6,11H2,1-4H3,(H,21,22)
InChIKeyPYDXGLOJZVXHFK-UHFFFAOYSA-N
XLogP4.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
CID 113084309

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide (CID 113084172) is 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide is CCC(CC)C(=O)NCC(C)(C)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide?
The InChIKey is PYDXGLOJZVXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-5-12(6-2)17(22)21-11-18(3,4)15-10-20-16-8-7-13(19)9-14(15)16/h7-10,12,20H,5-6,11H2,1-4H3,(H,21,22).
What are the key properties of 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide?
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide has a molecular weight of 304.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide is sourced from PubChem (CID 113084172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).