N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide

C12H11F3N2O2 — CID 18712334

IUPACN-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C12H11F3N2O2/c1-2-16-11(18)10-6-7-5-8(19-12(13,14)15)3-4-9(7)17-10/h3-6,17H,2H2,1H3,(H,16,18)
InChIKeyICEDGDQZCZHOJV-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.82
Rot. Bonds3

About N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide

N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 18712334) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID18712334
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC NameN-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C12H11F3N2O2/c1-2-16-11(18)10-6-7-5-8(19-12(13,14)15)3-4-9(7)17-10/h3-6,17H,2H2,1H3,(H,16,18)
InChIKeyICEDGDQZCZHOJV-UHFFFAOYSA-N
XLogP2.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 18712334) is N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide is CCNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is ICEDGDQZCZHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-16-11(18)10-6-7-5-8(19-12(13,14)15)3-4-9(7)17-10/h3-6,17H,2H2,1H3,(H,16,18).
What are the key properties of N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 18712334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).