N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide

C18H19F3N2O — CID 167106132

IUPACN-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESC=C1CCC(N(CC)C(=O)C(F)(F)F)C2=Nc3ccccc3C12C
InChIInChI=1S/C18H19F3N2O/c1-4-23(16(24)18(19,20)21)14-10-9-11(2)17(3)12-7-5-6-8-13(12)22-15(14)17/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyXERACKSIIQGJDJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.16
Rot. Bonds2

About N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide

N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 167106132) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID167106132
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESC=C1CCC(N(CC)C(=O)C(F)(F)F)C2=Nc3ccccc3C12C
InChIInChI=1S/C18H19F3N2O/c1-4-23(16(24)18(19,20)21)14-10-9-11(2)17(3)12-7-5-6-8-13(12)22-15(14)17/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyXERACKSIIQGJDJ-UHFFFAOYSA-N
XLogP4.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-1-(14-methylidene-8,11-diazatetracyclo[8.3.3.01,9.02,7]hexadeca-2,4,6,8-tetraen-11-yl)ethanone
CID 122666042
Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-
CID 370424
tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 135026078
N,N-diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetamide
CID 370426
N,N-dimethyl-3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propan-1-amine
CID 386071
Spiro[3H-indole-3,3'-pyrrolidine]-2'-methylene-1'-[2,2,3,3,3-pentafluoro-1-oxopropyl)
CID 630231
N-Acetyl-5-methyltryptamine PFP (spiro(3H-indole-3,3'-pyrrolidine)form)
CID 631283
N-Acetyl-7-methyltryptamine PFP (spiro(3H-indole-3,3'-pyrrolidine)form)
CID 631284
3H-Indolium, 2-[2-(acetylphenylamino)ethenyl]-1,3,3-trimethyl-, iodide (1:1)
CID 6450284
1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone
CID 58433063
2-Tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
CID 67375458
2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 67628630

Frequently Asked Questions

What is the IUPAC name of N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide (CID 167106132) is N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide is C=C1CCC(N(CC)C(=O)C(F)(F)F)C2=Nc3ccccc3C12C.
What is the InChIKey of N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is XERACKSIIQGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-4-23(16(24)18(19,20)21)14-10-9-11(2)17(3)12-7-5-6-8-13(12)22-15(14)17/h5-8,14H,2,4,9-10H2,1,3H3.
What are the key properties of N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 336.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-yl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167106132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).