2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide

C15H15F3N2O2 — CID 10519156

IUPAC2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)C(NC(=O)C(F)(F)F)CCC3
InChIInChI=1S/C15H15F3N2O2/c1-22-8-5-6-10-9(7-8)13-11(19-10)3-2-4-12(13)20-14(21)15(16,17)18/h5-7,12,19H,2-4H2,1H3,(H,20,21)
InChIKeyDMTMFAKHNSQOLC-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.23
Rot. Bonds2

About 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide

2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide (PubChem CID 10519156) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide
PubChem CID10519156
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)C(NC(=O)C(F)(F)F)CCC3
InChIInChI=1S/C15H15F3N2O2/c1-22-8-5-6-10-9(7-8)13-11(19-10)3-2-4-12(13)20-14(21)15(16,17)18/h5-7,12,19H,2-4H2,1H3,(H,20,21)
InChIKeyDMTMFAKHNSQOLC-UHFFFAOYSA-N
XLogP3.23
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
CID 84741592
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
N-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)propanamide
CID 10824090
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indazole-3-carboxamide
CID 75490269
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
CID 140799634
6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
CID 65333211
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide (CID 10519156) is 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide is COc1ccc2[nH]c3c(c2c1)C(NC(=O)C(F)(F)F)CCC3.
What is the InChIKey of 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide?
The InChIKey is DMTMFAKHNSQOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-22-8-5-6-10-9(7-8)13-11(19-10)3-2-4-12(13)20-14(21)15(16,17)18/h5-7,12,19H,2-4H2,1H3,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide?
2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide has a molecular weight of 312.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetamide is sourced from PubChem (CID 10519156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).