N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide

C19H26ClFN2O2 — CID 21263126

IUPACN-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide
SMILESCCCC(CNC(=O)CC)c1c[nH]c2c(F)c(Cl)c(OC(C)C)cc12
InChIInChI=1S/C19H26ClFN2O2/c1-5-7-12(9-22-16(24)6-2)14-10-23-19-13(14)8-15(25-11(3)4)17(20)18(19)21/h8,10-12,23H,5-7,9H2,1-4H3,(H,22,24)
InChIKeyGEDFJAUNEMTSSZ-UHFFFAOYSA-N
MW368.88 g/mol
LogP5.16
Rot. Bonds8

About N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide

N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide (PubChem CID 21263126) has the molecular formula C19H26ClFN2O2 and a molecular weight of 368.88 g/mol. Its IUPAC name is N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide
PubChem CID21263126
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC NameN-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide
SMILESCCCC(CNC(=O)CC)c1c[nH]c2c(F)c(Cl)c(OC(C)C)cc12
InChIInChI=1S/C19H26ClFN2O2/c1-5-7-12(9-22-16(24)6-2)14-10-23-19-13(14)8-15(25-11(3)4)17(20)18(19)21/h8,10-12,23H,5-7,9H2,1-4H3,(H,22,24)
InChIKeyGEDFJAUNEMTSSZ-UHFFFAOYSA-N
XLogP5.16
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.88
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide?
The IUPAC name of N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide (CID 21263126) is N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide.
What is the SMILES notation for N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide?
The canonical SMILES for N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide is CCCC(CNC(=O)CC)c1c[nH]c2c(F)c(Cl)c(OC(C)C)cc12.
What is the InChIKey of N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide?
The InChIKey is GEDFJAUNEMTSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c1-5-7-12(9-22-16(24)6-2)14-10-23-19-13(14)8-15(25-11(3)4)17(20)18(19)21/h8,10-12,23H,5-7,9H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide?
N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide has a molecular weight of 368.88 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)pentyl]propanamide is sourced from PubChem (CID 21263126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).