N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide

C16H19F3N2O2 — CID 84591480

IUPACN-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
SMILESCCN(CCC(F)(F)F)C(=O)c1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H19F3N2O2/c1-4-21(8-7-16(17,18)19)15(22)14-10(2)20-13-6-5-11(23-3)9-12(13)14/h5-6,9,20H,4,7-8H2,1-3H3
InChIKeyVXNYYJAKFFZSAX-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.90
Rot. Bonds5

About N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide

N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide (PubChem CID 84591480) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
PubChem CID84591480
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
SMILESCCN(CCC(F)(F)F)C(=O)c1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H19F3N2O2/c1-4-21(8-7-16(17,18)19)15(22)14-10(2)20-13-6-5-11(23-3)9-12(13)14/h5-6,9,20H,4,7-8H2,1-3H3
InChIKeyVXNYYJAKFFZSAX-UHFFFAOYSA-N
XLogP3.90
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide (CID 84591480) is N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide is CCN(CCC(F)(F)F)C(=O)c1c(C)[nH]c2ccc(OC)cc12.
What is the InChIKey of N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
The InChIKey is VXNYYJAKFFZSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-4-21(8-7-16(17,18)19)15(22)14-10(2)20-13-6-5-11(23-3)9-12(13)14/h5-6,9,20H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 84591480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).