N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide

C16H19F3N2O — CID 142743429

IUPACN-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2c(c1)N(C1CCCCC1)CC2)C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)15(22)20-12-7-6-11-8-9-21(14(11)10-12)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9H2,(H,20,22)
InChIKeyAXRWEVCXJXDBNV-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.88
Rot. Bonds2

About N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide

N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide (PubChem CID 142743429) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide
PubChem CID142743429
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2c(c1)N(C1CCCCC1)CC2)C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)15(22)20-12-7-6-11-8-9-21(14(11)10-12)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9H2,(H,20,22)
InChIKeyAXRWEVCXJXDBNV-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexyl-2,3-dihydroindol-6-yl)acetamide
CID 142743455
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
N-[5,6-dihydroxy-3-[(2,2,2-trifluoroacetyl)amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-8-yl]-2,2,2-trifluoroacetamide
CID 162580149
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoroacetamide
CID 10565105
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010
2-(1-cyclopentyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 115115373
3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
CID 155538714
3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115115116
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[(5Z)-5,6-dioxido-3-[(2,2,2-trifluoroacetyl)amino]-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium-8-yl]-2,2,2-trifluoroacetamide
CID 135440164
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide (CID 142743429) is N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc2c(c1)N(C1CCCCC1)CC2)C(F)(F)F.
What is the InChIKey of N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AXRWEVCXJXDBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)15(22)20-12-7-6-11-8-9-21(14(11)10-12)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9H2,(H,20,22).
What are the key properties of N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide?
N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide has a molecular weight of 312.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dihydroindol-6-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142743429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).