N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide

C14H15F3N2O2 — CID 86930540

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-21-7-3-6-18-13(20)12-8-10-4-1-2-5-11(10)19-12/h1-2,4-5,8,19H,3,6-7,9H2,(H,18,20)
InChIKeyFNEPQQGMNHFCRJ-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.87
Rot. Bonds6

About N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide

N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide (PubChem CID 86930540) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
PubChem CID86930540
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-21-7-3-6-18-13(20)12-8-10-4-1-2-5-11(10)19-12/h1-2,4-5,8,19H,3,6-7,9H2,(H,18,20)
InChIKeyFNEPQQGMNHFCRJ-UHFFFAOYSA-N
XLogP2.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
6-tert-butyl-N-(3-ethoxypropyl)-1H-indole-2-carboxamide
CID 36995777
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide (CID 86930540) is N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide is O=C(NCCCOCC(F)(F)F)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide?
The InChIKey is FNEPQQGMNHFCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)9-21-7-3-6-18-13(20)12-8-10-4-1-2-5-11(10)19-12/h1-2,4-5,8,19H,3,6-7,9H2,(H,18,20).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86930540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).