1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide

C19H16F3N3O — CID 54030708

IUPAC1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
SMILESCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c1-24-7-5-12-10-17-13(9-16(12)24)6-8-25(17)18(26)23-15-4-2-3-14(11-15)19(20,21)22/h2-5,7,9-11H,6,8H2,1H3,(H,23,26)
InChIKeyLFJSMEQZOFRSIR-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.79
Rot. Bonds1

About 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide

1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide (PubChem CID 54030708) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
PubChem CID54030708
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
SMILESCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c1-24-7-5-12-10-17-13(9-16(12)24)6-8-25(17)18(26)23-15-4-2-3-14(11-15)19(20,21)22/h2-5,7,9-11H,6,8H2,1H3,(H,23,26)
InChIKeyLFJSMEQZOFRSIR-UHFFFAOYSA-N
XLogP4.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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CID 894781
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CID 46382952
5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596395
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide
CID 157422187
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
5-[(2-amino-4-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 70877308
5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid
CID 158633098

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide (CID 54030708) is 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide is Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide?
The InChIKey is LFJSMEQZOFRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-24-7-5-12-10-17-13(9-16(12)24)6-8-25(17)18(26)23-15-4-2-3-14(11-15)19(20,21)22/h2-5,7,9-11H,6,8H2,1H3,(H,23,26).
What are the key properties of 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide?
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide is sourced from PubChem (CID 54030708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).