N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide

C19H26ClFN2O2 — CID 21263058

IUPACN-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide
SMILESCC(=O)NCC(c1c[nH]c2c(F)c(Cl)c(OC(C)(C)C)cc12)C(C)C
InChIInChI=1S/C19H26ClFN2O2/c1-10(2)13(8-22-11(3)24)14-9-23-18-12(14)7-15(16(20)17(18)21)25-19(4,5)6/h7,9-10,13,23H,8H2,1-6H3,(H,22,24)
InChIKeyBILGIZZEUHWHQO-UHFFFAOYSA-N
MW368.88 g/mol
LogP5.01
Rot. Bonds5

About N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide

N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide (PubChem CID 21263058) 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-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide
PubChem CID21263058
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC NameN-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide
SMILESCC(=O)NCC(c1c[nH]c2c(F)c(Cl)c(OC(C)(C)C)cc12)C(C)C
InChIInChI=1S/C19H26ClFN2O2/c1-10(2)13(8-22-11(3)24)14-9-23-18-12(14)7-15(16(20)17(18)21)25-19(4,5)6/h7,9-10,13,23H,8H2,1-6H3,(H,22,24)
InChIKeyBILGIZZEUHWHQO-UHFFFAOYSA-N
XLogP5.01
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.88
LogP ≤ 55.01
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-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide?
The IUPAC name of N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide (CID 21263058) is N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide.
What is the SMILES notation for N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide?
The canonical SMILES for N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide is CC(=O)NCC(c1c[nH]c2c(F)c(Cl)c(OC(C)(C)C)cc12)C(C)C.
What is the InChIKey of N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide?
The InChIKey is BILGIZZEUHWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c1-10(2)13(8-22-11(3)24)14-9-23-18-12(14)7-15(16(20)17(18)21)25-19(4,5)6/h7,9-10,13,23H,8H2,1-6H3,(H,22,24).
What are the key properties of N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide?
N-[2-[6-chloro-7-fluoro-5-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide has a molecular weight of 368.88 g/mol, XLogP of 5.01, 5 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-[(2-methylpropan-2-yl)oxy]-1H-indol-3-yl]-3-methylbutyl]acetamide is sourced from PubChem (CID 21263058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).