5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide

C13H12ClF3N2O2 — CID 134002903

IUPAC5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C13H12ClF3N2O2/c14-9-1-2-10-8(5-9)6-11(19-10)12(20)18-3-4-21-7-13(15,16)17/h1-2,5-6,19H,3-4,7H2,(H,18,20)
InChIKeyBFGNLYFSLIVDQR-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.13
Rot. Bonds5

About 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 134002903) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID134002903
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C13H12ClF3N2O2/c14-9-1-2-10-8(5-9)6-11(19-10)12(20)18-3-4-21-7-13(15,16)17/h1-2,5-6,19H,3-4,7H2,(H,18,20)
InChIKeyBFGNLYFSLIVDQR-UHFFFAOYSA-N
XLogP3.13
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.13
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

5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
CID 67289991
5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
CID 111662774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide (CID 134002903) is 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide is O=C(NCCOCC(F)(F)F)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is BFGNLYFSLIVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c14-9-1-2-10-8(5-9)6-11(19-10)12(20)18-3-4-21-7-13(15,16)17/h1-2,5-6,19H,3-4,7H2,(H,18,20).
What are the key properties of 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 320.70 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).