N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide

C15H17ClF2N2O2 — CID 171519160

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)COC(F)F)cc2cc1Cl
InChIInChI=1S/C15H17ClF2N2O2/c1-8(2)11-5-13-9(4-12(11)16)3-10(20-13)6-19-14(21)7-22-15(17)18/h3-5,8,15,20H,6-7H2,1-2H3,(H,19,21)
InChIKeyJJXJLKTZEMCSSU-UHFFFAOYSA-N
MW330.76 g/mol
LogP3.80
Rot. Bonds6

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide (PubChem CID 171519160) has the molecular formula C15H17ClF2N2O2 and a molecular weight of 330.76 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide
PubChem CID171519160
Molecular FormulaC15H17ClF2N2O2
Molecular Weight330.76 g/mol
Exact Mass330.09
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)COC(F)F)cc2cc1Cl
InChIInChI=1S/C15H17ClF2N2O2/c1-8(2)11-5-13-9(4-12(11)16)3-10(20-13)6-19-14(21)7-22-15(17)18/h3-5,8,15,20H,6-7H2,1-2H3,(H,19,21)
InChIKeyJJXJLKTZEMCSSU-UHFFFAOYSA-N
XLogP3.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide (CID 171519160) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide is CC(C)c1cc2[nH]c(CNC(=O)COC(F)F)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide?
The InChIKey is JJXJLKTZEMCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O2/c1-8(2)11-5-13-9(4-12(11)16)3-10(20-13)6-19-14(21)7-22-15(17)18/h3-5,8,15,20H,6-7H2,1-2H3,(H,19,21).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide has a molecular weight of 330.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-(difluoromethoxy)acetamide is sourced from PubChem (CID 171519160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).