N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide

C23H27FN2O2 — CID 21263072

IUPACN-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1c(-c2cccc(CC)c2)[nH]c2cc(F)c(OC)cc12
InChIInChI=1S/C23H27FN2O2/c1-4-7-22(27)25-11-10-17-18-13-21(28-3)19(24)14-20(18)26-23(17)16-9-6-8-15(5-2)12-16/h6,8-9,12-14,26H,4-5,7,10-11H2,1-3H3,(H,25,27)
InChIKeyACMJHPUVYIJRSS-UHFFFAOYSA-N
MW382.48 g/mol
LogP5.00
Rot. Bonds8

About N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide

N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide (PubChem CID 21263072) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide
PubChem CID21263072
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1c(-c2cccc(CC)c2)[nH]c2cc(F)c(OC)cc12
InChIInChI=1S/C23H27FN2O2/c1-4-7-22(27)25-11-10-17-18-13-21(28-3)19(24)14-20(18)26-23(17)16-9-6-8-15(5-2)12-16/h6,8-9,12-14,26H,4-5,7,10-11H2,1-3H3,(H,25,27)
InChIKeyACMJHPUVYIJRSS-UHFFFAOYSA-N
XLogP5.00
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide with MolForge

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Related Compounds

6-fluoro-5-methoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 118074756
methyl 5-[[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]methyl]-2-methoxybenzoate
CID 55413065
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 8533693
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[[4-[3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]phenyl]methyl]butanamide
CID 176516512
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide?
The IUPAC name of N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide (CID 21263072) is N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide is CCCC(=O)NCCc1c(-c2cccc(CC)c2)[nH]c2cc(F)c(OC)cc12.
What is the InChIKey of N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide?
The InChIKey is ACMJHPUVYIJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-4-7-22(27)25-11-10-17-18-13-21(28-3)19(24)14-20(18)26-23(17)16-9-6-8-15(5-2)12-16/h6,8-9,12-14,26H,4-5,7,10-11H2,1-3H3,(H,25,27).
What are the key properties of N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide?
N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide has a molecular weight of 382.48 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-ethylphenyl)-6-fluoro-5-methoxy-1H-indol-3-yl]ethyl]butanamide is sourced from PubChem (CID 21263072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).