4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide

C16H20ClFN2O2 — CID 67673376

IUPAC4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCc1c[nH]c2c(F)c(Cl)c(OCC)cc12
InChIInChI=1S/C16H20ClFN2O2/c1-3-19-13(21)7-5-6-10-9-20-16-11(10)8-12(22-4-2)14(17)15(16)18/h8-9,20H,3-7H2,1-2H3,(H,19,21)
InChIKeyDGMXQCGEXJZVRC-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.82
Rot. Bonds7

About 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide

4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide (PubChem CID 67673376) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide
PubChem CID67673376
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCc1c[nH]c2c(F)c(Cl)c(OCC)cc12
InChIInChI=1S/C16H20ClFN2O2/c1-3-19-13(21)7-5-6-10-9-20-16-11(10)8-12(22-4-2)14(17)15(16)18/h8-9,20H,3-7H2,1-2H3,(H,19,21)
InChIKeyDGMXQCGEXJZVRC-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide?
The IUPAC name of 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide (CID 67673376) is 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide.
What is the SMILES notation for 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide?
The canonical SMILES for 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide is CCNC(=O)CCCc1c[nH]c2c(F)c(Cl)c(OCC)cc12.
What is the InChIKey of 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide?
The InChIKey is DGMXQCGEXJZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-3-19-13(21)7-5-6-10-9-20-16-11(10)8-12(22-4-2)14(17)15(16)18/h8-9,20H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide?
4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide has a molecular weight of 326.80 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)-N-ethylbutanamide is sourced from PubChem (CID 67673376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).